N-(2H-1,3-benzodioxol-5-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4179 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 336.32 |
| Molecular Formula: | C13 H12 N4 O5 S |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1ccc2c(c1)OCO2)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0384 |
| logD: | 2.0278 |
| logSw: | -2.8771 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.481 |
| InChI Key: | UABOKULYXJOIFQ-UHFFFAOYSA-N |