N-cyclohexyl-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-cyclohexyl-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-cyclohexyl-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4115 |
| Compound Name: | N-cyclohexyl-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 298.36 |
| Molecular Formula: | C12 H18 N4 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(NC1CCCCC1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1012 |
| logD: | 2.0906 |
| logSw: | -2.2414 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.413 |
| InChI Key: | DQJKEBMTNDVYNT-UHFFFAOYSA-N |