2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C226-4191 |
| Compound Name: | 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 382.39 |
| Molecular Formula: | C15 H18 N4 O6 S |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1cc(c(c(c1)OC)OC)OC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5858 |
| logD: | 1.5753 |
| logSw: | -2.4939 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.343 |
| InChI Key: | BEVSBPKHNDNFGA-UHFFFAOYSA-N |