ethyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8011-9371 |
| Compound Name: | ethyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 468.53 |
| Molecular Formula: | C23 H24 N4 O5 S |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(c1cc(nn1Cc1ccccc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5391 |
| logD: | -0.0679 |
| logSw: | -4.4576 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.933 |
| InChI Key: | GNUYAAZSKHYKCX-UHFFFAOYSA-N |