N-[(4-methoxyphenyl)methyl]-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
N-[(4-methoxyphenyl)methyl]-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C226-4132 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 336.37 |
| Molecular Formula: | C14 H16 N4 O4 S |
| Smiles: | Cc1c(c([nH]n1)SCC(NCc1ccc(cc1)OC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.869 |
| logD: | 1.8584 |
| logSw: | -2.3788 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.231 |
| InChI Key: | VVNKPYVOJBNEPI-UHFFFAOYSA-N |