AC1MTTAG

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

Also Known As: AK-968/41024543|ethyl 2-{[({[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 6-methyl-2-[[2-(3-propan-2-yloxyphenyl)quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(3-(2-(3-isopropoxyphenyl)quinoline-4-carbonyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ETHYL 2-{[({[2-(3-ISOPROPOXYPHENYL)-4-QUINOLYL]CARBONYL}AMINO)CARBOTHIOYL]AMINO}-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|ethyl 6-methyl-2-{[({2-[3-(propan-2-yloxy)phenyl]quinolin-4-yl}carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Molecular Formula	C32H33N3O4S2
Molecular Weight	587.1912 g/mol
LogP	7.1788
Topological Polar Surface Area	89.55 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	587.1912
Monoisotopic Mass	587.1912
Heavy Atoms	41
Complexity	1628.7378

Chemical Identifiers

CAS Number	445237-19-4
SMILES	CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OC(C)C