2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-[(pyridin-3-yl)methyl]acetamide
Chemical Structure Depiction of
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-[(pyridin-3-yl)methyl]acetamide
2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C226-4105 |
| Compound Name: | 2-[(3-methyl-4-nitro-1H-pyrazol-5-yl)sulfanyl]-N-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 307.33 |
| Molecular Formula: | C12 H13 N5 O3 S |
| Smiles: | Cc1c(c([nH]n1)SCC(NCc1cccnc1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 0.6589 |
| logD: | 0.6459 |
| logSw: | -1.5314 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.205 |
| InChI Key: | YQHCGWFFRDCDEU-UHFFFAOYSA-N |