Oprea1_503589
ethyl 2-[(1-ethyl-4-nitropyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_503589|AK-968/14004713|ethyl 2-[({1-ethyl-4-nitro-1H-pyrazol-5-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[(2-ethyl-4-nitropyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-{[(1-ethyl-4-nitro-1H-pyrazol-5-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-(1-ethyl-4-nitro-1H-pyrazole-5-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C17H20N4O5S |
|---|---|
| Molecular Weight | 392.11545 g/mol |
| LogP | 3.1805 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.11545 |
| Monoisotopic Mass | 392.11545 |
| Heavy Atoms | 27 |
| Complexity | 901.5162 |
Chemical Identifiers
| CAS Number | 514799-19-0 |
|---|---|
| SMILES | CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC |
Product Overview
Oprea1_503589 (CAS 514799-19-0), with molecular formula C17H20N4O5S and molecular weight 392.11545 g/mol. IUPAC: ethyl 2-[(1-ethyl-4-nitropyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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