AG00ABLP

1613695-14-9 | 2-[2-(3-Chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-4-isoxazolyl)-1-[(2S)-2-(4-morpholinyl)propyl]-1H-benzimidazole

AG00ABLP

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CAS Number	1613695-14-9
Catalog Number	AG00ABLP(AGN-PC-0WAKE8)
Chemical Name	2-[2-(3-Chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-4-isoxazolyl)-1-[(2S)-2-(4-morpholinyl)propyl]-1H-benzimidazole
IUPAC Name	4-[(2S)-1-[2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzimidazol-1-yl]propan-2-yl]morpholine
InChI	InChI=1S/C28H33ClN4O3/c1-18(32-11-13-35-14-12-32)17-33-25-8-7-22(28-19(2)31-36-20(28)3)16-24(25)30-27(33)10-6-21-5-9-26(34-4)23(29)15-21/h5,7-9,15-16,18H,6,10-14,17H2,1-4H3/t18-/m0/s1
InChI Key	GEPYBHCJBORHCE-SFHVURJKSA-N
MDL Number	MFCD26792586
Molecular Formula	C28H33ClN4O3
Molecular Weight	509.0396
SMILES	C(n1c2c(nc1CCc1cc(Cl)c(cc1)OC)cc(cc2)c1c(C)noc1C)[C@H](C)N1CCOCC1
Synonyms	SGC-CBP30, 1613695-14-9, (s)-4-(1-(2-(3-chloro-4-methoxyphenethyl)-5-(3,5-dimethylisoxazol-4-yl)-1h-benzo[d]imidazol-1-yl)propan-2-yl)morpholine, 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-1,3-benzodiazole, 2-[2-(3-Chloro-4-Methoxyphenyl)ethyl]-5-(3,5-Dimethyl-1,2-Oxazol-4-Yl)-1-[(2s)-2-(Morpholin-4-Yl)propyl]-1h-Benzimidazole, 2LO, C28H33ClN4O3, GTPL7529, CHEMBL3622373, SCHEMBL17512896, AOB4800, BDBM188519, EX-A2159, 2715AH, MFCD26792586, s7256, ZINC96170456, AKOS024458401, CS-2096, NCGC00351475-07, SGC-CBP30, >=98% (HPLC), [d]imidazol-1-yl)propan-2-yl)morpholine, BC600338, HY-15826, FT-0770755, SW219645-1, A13227, (S)-4-(1-(2-(3-chloro-4-methoxyphenethyl)-5-(3,5-dimethylisoxazol-4-yl)-1H-benzo, 5-(3,5-Dimethylisoxazole-4-yl)-2-[2-(3-chloro-4-methoxyphenyl)ethyl]-1-[(S)-2-morpholinopropyl]-1H-benzoimidazole, D03XXT, A4491,

Complexity	698
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	508.224g/mol
Formal Charge	0
Heavy Atom Count	36
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	509.047g/mol
Monoisotopic Mass	508.224g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	65.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
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