2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Chemical Structure Depiction of
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(4-methylphenyl)acetamide
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C226-4192 |
| Compound Name: | 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(4-methylphenyl)acetamide |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C13 H14 N4 O3 S |
| Smiles: | Cc1ccc(cc1)NC(CSc1c(c(C)n[nH]1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6287 |
| logD: | 2.6181 |
| logSw: | -3.0217 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.366 |
| InChI Key: | ZGZGSBFWLBVYFJ-UHFFFAOYSA-N |