AG00ECD8

620113-73-7 | alpha-[[2-(4-Fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-benzothiazoleacetonitrile

AG00ECD8

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CAS Number	620113-73-7
Catalog Number	AG00ECD8(AGN-PC-0ODL91)
Chemical Name	alpha-[[2-(4-Fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-benzothiazoleacetonitrile
IUPAC Name	(E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile
InChI	InChI=1S/C25H15FN4O2S/c1-15-5-4-12-30-22(15)29-23(32-18-10-8-17(26)9-11-18)19(25(30)31)13-16(14-27)24-28-20-6-2-3-7-21(20)33-24/h2-13H,1H3/b16-13+
InChI Key	IPZHFKHGSYRBNT-DTQAZKPQSA-N
MDL Number	MFCD04167973
Molecular Formula	C25H15FN4O2S
Molecular Weight	454.4756
SMILES	N#C/C(=CC1C(=O)N2C=CC=C(C)C2=NC=1OC1C=CC(F)=CC=1)/C1SC2C(=CC=CC=2)N=1
UNII	SAU68994A6
Synonyms	CCG-63808, 620113-73-7, UNII-SAU68994A6, (E)-2-(Benzo[d]thiazol-2-yl)-3-(2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acrylonitrile, SAU68994A6, (E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, AC1NZYA1, GTPL8725, CHEMBL1604848, DTXSID70211065, HMS1804O11, ZINC8642525, STK704875, AKOS001693904, NCGC00101423-01, AJ-57813, HY-70075, AX8234833, W-5313, (2E)-2-(1,3-benzothiazol-2-yl)-3-[2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]prop-2-enenitrile, (E)-2-(Benzo[d]thiazol-2-yl)-3-(2-(4-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)ac, alpha-[[2-(4-Fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-benzothiazoleacetonitrile, IPZHFKHGSYRBNT-DTQAZKPQSA-N, CID5948316, CS-0041, CID 5948316, A3290, ?-[[2-(4-Fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-2-benzothiazoleacetonitrile,

Complexity	1030
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	454.09g/mol
Formal Charge	0
Heavy Atom Count	33
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	454.479g/mol
Monoisotopic Mass	454.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	107A^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

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