N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4182 |
| Compound Name: | N-(4-chloro-2,5-dimethoxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 386.81 |
| Molecular Formula: | C14 H15 Cl N4 O5 S |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1cc(c(cc1OC)[Cl])OC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.494 |
| logD: | 2.4606 |
| logSw: | -3.3225 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.929 |
| InChI Key: | MZJUPFPAWGTBCP-UHFFFAOYSA-N |