AC1N2TLF

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

Also Known As: AK-968/41017110|ethyl 6-ethyl-2-[[2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 6-ethyl-2-{[({[2-(3-isobutoxyphenyl)-4-quinolinyl]carbonyl}amino)carbothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 6-ethyl-2-(3-(2-(3-isobutoxyphenyl)quinoline-4-carbonyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ETHYL 6-ETHYL-2-{[({[2-(3-ISOBUTOXYPHENYL)-4-QUINOLYL]CARBONYL}AMINO)CARBOTHIOYL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|ethyl 6-ethyl-2-{[({2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl}carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Molecular Formula	C34H37N3O4S2
Molecular Weight	615.22253 g/mol
LogP	7.8165
Topological Polar Surface Area	89.55 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	615.22253
Monoisotopic Mass	615.22253
Heavy Atoms	43
Complexity	1662.9037

Chemical Identifiers

CAS Number	438196-41-9
SMILES	CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)OCC(C)C