2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]acetamide
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 1762-0287 |
| Compound Name: | 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-[2-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 306.34 |
| Molecular Formula: | C13 H14 N4 O3 S |
| Smiles: | Cc1cc(nn1CC(Nc1ccccc1SC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4963 |
| logD: | 1.4963 |
| logSw: | -2.5853 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.464 |
| InChI Key: | QTJAFQGHSPQXFD-UHFFFAOYSA-N |