N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4214 |
| Compound Name: | N-{1-[(2-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 434.9 |
| Molecular Formula: | C18 H19 Cl N6 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1c(C)nn(Cc2ccccc2[Cl])c1C)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4885 |
| logD: | 2.4779 |
| logSw: | -3.1811 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.252 |
| InChI Key: | ZRGAORKYELFDIX-UHFFFAOYSA-N |