N-(3,4-dimethoxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-(3,4-dimethoxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4180 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 352.37 |
| Molecular Formula: | C14 H16 N4 O5 S |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1ccc(c(c1)OC)OC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7402 |
| logD: | 1.7296 |
| logSw: | -2.5667 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.626 |
| InChI Key: | VJJYYVGWORYAEH-UHFFFAOYSA-N |