AC1M27BC

methyl 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Also Known As: methyl 2-({[2-(3-bromophenyl)-4-quinolinyl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|methyl 2-({[2-(3-bromophenyl)quinolin-4-yl]carbonyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|methyl 2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|Methyl 2-[2-(3-bromophenyl)quinoline-4-carboxamido]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate|methyl 2-{[2-(3-bromophenyl)-4-quinolyl]carbonylamino}-4,5,6,7,8-pentahydrocyc lohepta[2,1-b]thiophene-3-carboxylate

Molecular Formula	C27H23BrN2O3S
Molecular Weight	534.0613 g/mol
LogP	7.0336
Topological Polar Surface Area	68.29 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	534.0613
Monoisotopic Mass	534.0613
Heavy Atoms	34
Complexity	1412.525

Chemical Identifiers

CAS Number	5693-37-8
SMILES	COC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC(=CC=C5)Br