AC1LX3DD

methyl 2-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Also Known As: AK-968/41024650|methyl 2-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|methyl 2-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|methyl 2-(3-(2-(3-isopropoxyphenyl)quinoline-4-carbonyl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate|METHYL 2-{[({[2-(3-ISOPROPOXYPHENYL)-4-QUINOLYL]CARBONYL}AMINO)CARBOTHIOYL]AMINO}-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE|methyl 2-{[({2-[3-(propan-2-yloxy)phenyl]quinolin-4-yl}carbonyl)carbamothioyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Molecular Formula	C29H27N3O4S2
Molecular Weight	545.1443 g/mol
LogP	6.1526
Topological Polar Surface Area	89.55 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	545.1443
Monoisotopic Mass	545.1443
Heavy Atoms	38
Complexity	1560.9669

Chemical Identifiers

CAS Number	445237-96-7
SMILES	CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=C(C5=C(S4)CCC5)C(=O)OC