2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Chemical Structure Depiction of
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide
Compound characteristics
| Compound ID: | C226-4119 |
| Compound Name: | 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-(2-phenylethyl)acetamide |
| Molecular Weight: | 320.37 |
| Molecular Formula: | C14 H16 N4 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(NCCc1ccccc1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.6613 |
| logD: | 1.6507 |
| logSw: | -2.2842 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.529 |
| InChI Key: | JYMUGAFFQQIMQG-UHFFFAOYSA-N |