2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-[2-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-[2-(methylsulfanyl)phenyl]acetamide
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-[2-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C226-4177 |
| Compound Name: | 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-[2-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 338.4 |
| Molecular Formula: | C13 H14 N4 O3 S2 |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1ccccc1SC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2608 |
| logD: | 2.2503 |
| logSw: | -2.6519 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.668 |
| InChI Key: | YQLYEWATQLZHKI-UHFFFAOYSA-N |