montelukast

2-[2-[(3R)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-sulfanylpropyl]phenyl]propan-2-ol

Also Known As: montelukast|2-[(3R)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-mercaptopropyl]-alpha,alpha-dimethylbenzenemethanol|2-[(3R)-3-[3-[(1E)-2-(7-Chloro-2-quinolinyl)ethenyl]phenyl]-3-mercaptopropyl]-I+/-,I+/--dimethylbenzenemethanol|2-[2-[(3R)-3-[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-3-sulfanylpropyl]phenyl]propan-2-ol

Molecular Formula	C29H28ClNOS
Molecular Weight	473.15802 g/mol
LogP	7.8897
Topological Polar Surface Area	33.12 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	3
Rotatable Bonds	7
Exact Mass	473.15802
Monoisotopic Mass	473.15802
Heavy Atoms	33
Complexity	1292.2927

Chemical Identifiers

CAS Number	855473-49-3
SMILES	CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)S)O