AC1MIX8S
ethyl 2-[[2-(4-benzylpiperidin-1-yl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_649577|BAS 01224828|SR-01000429623-1|ethyl 2-({[2-(4-benzylpiperidin-1-yl)-5-nitrophenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(2-(4-benzylpiperidin-1-yl)-5-nitrobenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-[[2-(4-benzylpiperidin-1-yl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ETHYL 2-[2-(4-BENZYLPIPERIDIN-1-YL)-5-NITROBENZAMIDO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C30H33N3O5S |
|---|---|
| Molecular Weight | 547.2141 g/mol |
| LogP | 6.4232 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 547.2141 |
| Monoisotopic Mass | 547.2141 |
| Heavy Atoms | 39 |
| Complexity | 1362.4174 |
Chemical Identifiers
| CAS Number | 313699-27-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5 |
Product Overview
AC1MIX8S (CAS 313699-27-3), with molecular formula C30H33N3O5S and molecular weight 547.2141 g/mol. IUPAC: ethyl 2-[[2-(4-benzylpiperidin-1-yl)-5-nitrobenzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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