AC1MEDMD

ethyl 2-[[2-(4-benzylpiperazin-1-yl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Also Known As: Oprea1_154955|BAS 01224825|AG-690/13702556|SR-01000429621-1|ethyl 2-[[2-(4-benzylpiperazin-1-yl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-({[2-(4-benzylpiperazin-1-yl)-5-nitrophenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-({2-(4-benzyl-1-piperazinyl)-5-nitrobenzoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(2-(4-benzylpiperazin-1-yl)-5-nitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ETHYL 2-[2-(4-BENZYLPIPERAZIN-1-YL)-5-NITROBENZAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE

Molecular Formula	C29H32N4O5S
Molecular Weight	548.20935 g/mol
LogP	5.2863
Topological Polar Surface Area	105.02 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	548.20935
Monoisotopic Mass	548.20935
Heavy Atoms	39
Complexity	1365.4976

Chemical Identifiers

CAS Number	313699-26-2
SMILES	CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCN(CC4)CC5=CC=CC=C5