N-(4-methoxyphenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-methoxyphenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9698 |
| Compound Name: | N-(4-methoxyphenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C20 H18 N6 O2 S |
| Smiles: | COc1ccc(cc1)NC(CSc1nnc(c2ccncc2)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6943 |
| logD: | 2.6937 |
| logSw: | -2.8771 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.268 |
| InChI Key: | ZUQPZTLMVUJWGZ-UHFFFAOYSA-N |