AC1LOOUX
ethyl 2-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_875650|AK-968/36944089|ethyl 2-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|SR-01000409215-1|ETHYL 2-(1-METHYL-4-NITRO-1H-PYRAZOLE-3-AMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|ethyl 2-(1-methyl-4-nitro-1H-pyrazole-3-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-[({4-nitro-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-{[(1-methyl-4-nitro-1H-pyrazol-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C16H18N4O5S |
|---|---|
| Molecular Weight | 378.0998 g/mol |
| LogP | 2.6976 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.0998 |
| Monoisotopic Mass | 378.0998 |
| Heavy Atoms | 26 |
| Complexity | 885.5774 |
Chemical Identifiers
| CAS Number | 351333-01-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C |
Product Overview
AC1LOOUX (CAS 351333-01-2), with molecular formula C16H18N4O5S and molecular weight 378.0998 g/mol. IUPAC: ethyl 2-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
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