N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4210 |
| Compound Name: | N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 400.46 |
| Molecular Formula: | C18 H20 N6 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1c(C)nn(Cc2ccccc2)c1C)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8323 |
| logD: | 1.8217 |
| logSw: | -2.4377 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.252 |
| InChI Key: | ZAMBPWROMRQLCS-UHFFFAOYSA-N |