N-(4-cyanophenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-cyanophenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-(4-cyanophenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4167 |
| Compound Name: | N-(4-cyanophenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 317.32 |
| Molecular Formula: | C13 H11 N5 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1ccc(C#N)cc1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8597 |
| logD: | 1.8491 |
| logSw: | -2.48 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.422 |
| InChI Key: | YTKACUMICFZCMT-UHFFFAOYSA-N |