AC1MU9E5

2-amino-4-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]-1-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile

Also Known As: AK-968/41925459|2-amino-4-[3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl]-1-(3,4-dichlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile|2-amino-4-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-1-(3,4-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile|2-amino-4-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-1-(3,4-dichlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

Molecular Formula	C31H26Cl3N3O3
Molecular Weight	593.104 g/mol
LogP	7.8476
Topological Polar Surface Area	88.58 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	593.104
Monoisotopic Mass	593.104
Heavy Atoms	40
Complexity	1623.7274

Chemical Identifiers

CAS Number	514799-79-2
SMILES	CC1=C(C=CC(=C1)OCC2=C(C=CC(=C2)C3C(=C(N(C4=C3C(=O)CCC4)C5=CC(=C(C=C5)Cl)Cl)N)C#N)OC)Cl