AC1LX26C

propan-2-yl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

Also Known As: AK-968/41024246|isopropyl 2-({[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate|propan-2-yl 2-[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate|isopropyl 2-(2-(benzo[d][1,3]dioxol-5-yl)quinoline-4-carboxamido)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate|methylethyl 2-[(2-(2H-benzo[d]1,3-dioxolen-5-yl)-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-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonyl}amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

Molecular Formula	C35H38N2O5S
Molecular Weight	598.2501 g/mol
LogP	8.7289
Topological Polar Surface Area	86.75 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	598.2501
Monoisotopic Mass	598.2501
Heavy Atoms	43
Complexity	1642.9961

Chemical Identifiers

CAS Number	445233-63-6
SMILES	CC(C)OC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6