methyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3772-2639 |
| Compound Name: | methyl 2-[(1-benzyl-3-nitro-1H-pyrazole-5-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 440.48 |
| Molecular Formula: | C21 H20 N4 O5 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(c1cc(nn1Cc1ccccc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6609 |
| logD: | -0.9461 |
| logSw: | -4.2887 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.022 |
| InChI Key: | TZAINAAUOWJSTR-UHFFFAOYSA-N |