AC1LX371

ethyl 2-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Also Known As: AK-968/41024582|ethyl 2-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-{[({2-[3-(propan-2-yloxy)phenyl]quinolin-4-yl}carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(3-(2-(3-isopropoxyphenyl)quinoline-4-carbonyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ETHYL 2-{[({[2-(3-ISOPROPOXYPHENYL)-4-QUINOLYL]CARBONYL}AMINO)CARBOTHIOYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE

Molecular Formula	C31H31N3O4S2
Molecular Weight	573.1756 g/mol
LogP	6.9328
Topological Polar Surface Area	89.55 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	573.1756
Monoisotopic Mass	573.1756
Heavy Atoms	40
Complexity	1595.001

Chemical Identifiers

CAS Number	445237-47-8
SMILES	CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OC(C)C