AC1LX39D

ethyl 2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Also Known As: AK-968/41024617|ethyl 2-({[(2-phenylquinolin-4-yl)carbonyl]carbamothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-(3-(2-phenylquinoline-4-carbonyl)thioureido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ethyl 2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|ETHYL 2-[({[(2-PHENYL-4-QUINOLYL)CARBONYL]AMINO}CARBOTHIOYL)AMINO]-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE

Molecular Formula	C29H27N3O3S2
Molecular Weight	529.1494 g/mol
LogP	6.5357
Topological Polar Surface Area	80.32 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	529.1494
Monoisotopic Mass	529.1494
Heavy Atoms	37
Complexity	1480.7909

Chemical Identifiers

CAS Number	445237-73-0
SMILES	CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5