AG003ACA

847925-91-1 | N1-[(7S)-6,7-Dihydro-6-oxo-5H-dibenz[b,d]azepin-7-yl]-2,2-dimethyl-N3-(2,2,3,3,3-pentafluoropropyl)propanediamide

AG003ACA

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CAS Number	847925-91-1
Catalog Number	AG003ACA(AGN-PC-0UTYA6)
Chemical Name	N1-[(7S)-6,7-Dihydro-6-oxo-5H-dibenz[b,d]azepin-7-yl]-2,2-dimethyl-N3-(2,2,3,3,3-pentafluoropropyl)propanediamide
IUPAC Name	2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
InChI	InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1
InChI Key	OJPLJFIFUQPSJR-INIZCTEOSA-N
MDL Number	MFCD18384976
Molecular Formula	C22H20F5N3O3
Molecular Weight	469.4045
SMILES	O=C1[C@H](C2=C(C3=C(N1)C=CC=C3)C=CC=C2)NC(C(C(=O)NCC(C(F)(F)F)(F)F)(C)C)=O
UNII	KK8645V7LE
Synonyms	2,2-dimethyl-N-(6-oxo-6,7-dihydro-5H-dibenzo(b,d)azepin-7-yl)-N'-(2,2,3,3,3-pentafluoropropyl)malonamide, RO 4929097, RO-4929097, RO4929097, RO4929097, 847925-91-1, RO-4929097, Ro 4929097, UNII-KK8645V7LE, KK8645V7LE, RG-4733, R-4733, N1-[(7S)-6,7-dihydro-6-oxo-5H-dibenz[b,d]azepin-7-yl]-2,2-dimethyl-N3-(2,2,3,3,3-pentafluoropropyl)propanediamide, (S)-2,2-dimethyl-N1-(6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-N3-(2,2,3,3,3-pentafluoropropyl)malonamide, n1-((7s)-6,7-dihydro-6-oxo-5h-dibenz(b,d)azepin-7-yl)-2,2-dimethyl-n3-(2,2,3,3,3-pentafluoropropyl)propanediamide, OJPLJFIFUQPSJR-INIZCTEOSA-N, cc-19, MLS006011071, GTPL7338, SCHEMBL1376366, CHEBI:86474, DTXSID20233833, C22H20F5N3O3, BCPP000088, EX-A1750, ABP000966, s1575, ZINC43208642, CS-0480, DB11870, RL05211, SB16672, NCGC00263162-01, NCGC00263162-02, BC638865, HY-11102, SC-85823, SMR004702861, X7559, W-5749, J-523360, RO-4929097,RO 4929097, 847925-91-1, 2,2-dimethyl-N(1)-[(7S)-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-N(3)-(2,2,3,3,3-pentafluoropropyl)propanediamide, 2,2-dimethyl-N-((S)-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl)-N'-(2,2,3,3,3-pentafluoro-propyl)-malonamide, 2,2-dimethyl-N-[(10S)-9-oxo-8-azatricyclo[9.4.0.0^{2,7}]pentadeca-1(11),2(7),3,5,12,14-hexaen-10-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide, 2,2-dimethyl-N-[(10S)-9-oxo-8-azatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-10-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide, N1-[(7S)-6,7-Dihydro-6-oxo-5h-dibenz[b,d]azepin-7-yl]-2,2-dimethyl-n3-(2,2,3,3,3-pentafluoropropyl)-propanediamide, Propanediamide, N-((7S)-6,7-dihydro-6-oxo-5H-dibenz(b,d)azepin-7-yl)-2,2-dimethyl-N'-(2,2,3,3,3-pentafluoropropyl)-, Propanediamide, N1-[(7S)-6,7-dihydro-6-oxo-5H-dibenz[b,d]azepin-7-yl]-2,2-dimethyl-N3-(2,2,3,3,3-pentafluoropropyl), D0I3WC, A4005, A10802, RO4929097;RO-4929097, RO 4929097, 98%, a gamma secretase inhibitor - 25MG 25mg, Propanediamide, N1-[(7S)-6,7-dihydro-6-oxo-5H-dibenz[b,d]azepin-7-yl]-2,2-dimethyl-N3-(2,2,3,3,3-pentafluoropropyl)-,

Complexity	771
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	469.142g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	469.412g/mol
Monoisotopic Mass	469.142g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	87.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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