AC1NBU4W

N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide

Also Known As: AK-968/41024242|N-[4-(4-butan-2-ylphenyl)-3-cyano-5-methylthiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide|N-[4-(4-sec-butylphenyl)-3-cyano-5-methyl-2-thienyl]-2-(4-isobutylphenyl)-4-quinolinecarboxamide|N-{4-[4-(butan-2-yl)phenyl]-3-cyano-5-methylthiophen-2-yl}-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide|N-{3-cyano-5-methyl-4-[4-(methylpropyl)phenyl](2-thienyl)}{2-[4-(2-methylpropy l)phenyl](4-quinolyl)}carboxamide

Molecular Formula	C36H35N3OS
Molecular Weight	557.25006 g/mol
LogP	9.7747
Topological Polar Surface Area	65.78 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	8
Exact Mass	557.25006
Monoisotopic Mass	557.25006
Heavy Atoms	41
Complexity	1741.48

Chemical Identifiers

CAS Number	445233-59-0
SMILES	CCC(C)C1=CC=C(C=C1)C2=C(SC(=C2C#N)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)CC(C)C)C