2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
| Compound ID: | C226-4181 |
| Compound Name: | 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide |
| Molecular Weight: | 376.31 |
| Molecular Formula: | C13 H11 F3 N4 O4 S |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1ccc(cc1)OC(F)(F)F)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3965 |
| logD: | 3.3859 |
| logSw: | -3.8933 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.302 |
| InChI Key: | ZWBYVCGZUZDJIQ-UHFFFAOYSA-N |