N-(2-methylphenyl)-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-methylphenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2-methylphenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G856-9718 |
| Compound Name: | N-(2-methylphenyl)-2-{[5-(pyridin-4-yl)-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 390.47 |
| Molecular Formula: | C20 H18 N6 O S |
| Smiles: | Cc1ccccc1NC(CSc1nnc(c2ccncc2)n1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5067 |
| logD: | 2.5061 |
| logSw: | -2.4392 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.026 |
| InChI Key: | ILLYTSFZFQXMRC-UHFFFAOYSA-N |