2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}acetamide
Chemical Structure Depiction of
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}acetamide
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}acetamide
Compound characteristics
| Compound ID: | C226-4207 |
| Compound Name: | 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-{1-[(4-methylphenyl)methyl]-1H-pyrazol-3-yl}acetamide |
| Molecular Weight: | 386.43 |
| Molecular Formula: | C17 H18 N6 O3 S |
| Smiles: | Cc1ccc(Cn2ccc(NC(CSc3c(c(C)n[nH]3)[N+]([O-])=O)=O)n2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4956 |
| logD: | 2.485 |
| logSw: | -2.7501 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.321 |
| InChI Key: | BQXVLXQBNCTVED-UHFFFAOYSA-N |