N-[2-(methylsulfanyl)phenyl]-2-(3-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-[2-(methylsulfanyl)phenyl]-2-(3-nitro-1H-pyrazol-1-yl)acetamide
N-[2-(methylsulfanyl)phenyl]-2-(3-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8016-5289 |
| Compound Name: | N-[2-(methylsulfanyl)phenyl]-2-(3-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 292.31 |
| Molecular Formula: | C12 H12 N4 O3 S |
| Smiles: | CSc1ccccc1NC(Cn1ccc(n1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4032 |
| logD: | 1.4032 |
| logSw: | -2.4218 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.924 |
| InChI Key: | BQUCABYAQZTSAL-UHFFFAOYSA-N |