N-(2-hydroxy-5-methylphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2-hydroxy-5-methylphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-(2-hydroxy-5-methylphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4162 |
| Compound Name: | N-(2-hydroxy-5-methylphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 322.34 |
| Molecular Formula: | C13 H14 N4 O4 S |
| Smiles: | Cc1ccc(c(c1)NC(CSc1c(c(C)n[nH]1)[N+]([O-])=O)=O)O |
| Stereo: | ACHIRAL |
| logP: | 1.8459 |
| logD: | 1.8354 |
| logSw: | -2.4371 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.216 |
| InChI Key: | JEEHKZYEWREUEN-UHFFFAOYSA-N |