AC1N3MVD

propan-2-yl 2-[[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

Also Known As: AK-968/41024381|isopropyl 2-({[2-(3-ethoxyphenyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate|propan-2-yl 2-[[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate|isopropyl 2-(2-(3-ethoxyphenyl)quinoline-4-carboxamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate|methylethyl 2-{[2-(3-ethoxyphenyl)-4-quinolyl]carbonylamino}-4,5,6,7,8,9,10,11 ,12,13-decahydrocyclododeca[1,2-b]thiophene-3-carboxylate|propan-2-yl 2-({[2-(3-ethoxyphenyl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

Molecular Formula	C36H42N2O4S
Molecular Weight	598.2865 g/mol
LogP	9.3989
Topological Polar Surface Area	77.52 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	598.2865
Monoisotopic Mass	598.2865
Heavy Atoms	43
Complexity	1575.0203

Chemical Identifiers

CAS Number	445236-19-1
SMILES	CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCCCCCCC5)C(=O)OC(C)C