N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4211 |
| Compound Name: | N-{1-[(4-chlorophenyl)methyl]-5-methyl-1H-pyrazol-3-yl}-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 420.88 |
| Molecular Formula: | C17 H17 Cl N6 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1cc(C)n(Cc2ccc(cc2)[Cl])n1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9253 |
| logD: | 2.9147 |
| logSw: | -3.5807 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.862 |
| InChI Key: | JEOGRYBCOSIIPW-UHFFFAOYSA-N |