N-(3-hydroxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-hydroxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-(3-hydroxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4175 |
| Compound Name: | N-(3-hydroxyphenyl)-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 308.31 |
| Molecular Formula: | C12 H12 N4 O4 S |
| Smiles: | Cc1c(c([nH]n1)SCC(Nc1cccc(c1)O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5886 |
| logD: | 1.578 |
| logSw: | -2.2015 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.983 |
| InChI Key: | FKRDKPYPMZIIGF-UHFFFAOYSA-N |