AC1LQY2O
ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: CBMicro_017059|Oprea1_670555|BIM-0017036.P001|ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[(5-chloro-2-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b]thio phene-3-carboxylate|ethyl 2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H17ClN2O5S |
|---|---|
| Molecular Weight | 408.05466 g/mol |
| LogP | 4.6175 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.05466 |
| Monoisotopic Mass | 408.05466 |
| Heavy Atoms | 27 |
| Complexity | 924.71606 |
Chemical Identifiers
| CAS Number | 5701-86-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-] |
Product Overview
AC1LQY2O (CAS 5701-86-0), with molecular formula C18H17ClN2O5S and molecular weight 408.05466 g/mol. IUPAC: ethyl 2-[(5-chloro-2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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