N-(2,6-dimethylphenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,6-dimethylphenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9679 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C21 H20 N6 O S |
| Smiles: | Cc1cccc(C)c1NC(CSc1nnc(c2ccncc2)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8966 |
| logD: | 2.896 |
| logSw: | -2.8064 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.328 |
| InChI Key: | JNJPVFYVKZXBGJ-UHFFFAOYSA-N |