AC1NEGVH

4-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanylmethyl]benzoic acid

Also Known As: Oprea1_230886|AK-777/12226019|4-({[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanyl}methyl)benzoic acid|4-(((3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl)thio)methyl)benzoic acid|4-({[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl}methyl)benzoic acid|4-[[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylmethyl]benzoic acid

Molecular Formula	C27H20N2O3S
Molecular Weight	452.11948 g/mol
LogP	6.28638
Topological Polar Surface Area	83.21 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	452.11948
Monoisotopic Mass	452.11948
Heavy Atoms	33
Complexity	1312.8253

Chemical Identifiers

CAS Number	353461-75-3
SMILES	COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4