N-[(4-chlorophenyl)methyl]-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-[(4-chlorophenyl)methyl]-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4127 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 340.79 |
| Molecular Formula: | C13 H13 Cl N4 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(NCc1ccc(cc1)[Cl])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4813 |
| logD: | 2.4707 |
| logSw: | -3.3456 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.688 |
| InChI Key: | JPDZGJFLUOMUNM-UHFFFAOYSA-N |