N-(3-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-9872 |
| Compound Name: | N-(3-methylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 365.46 |
| Molecular Formula: | C19 H19 N5 O S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc(c2ccccn2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1563 |
| logD: | 3.1563 |
| logSw: | -3.2439 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.416 |
| InChI Key: | VJMGJLQKQLBAGL-UHFFFAOYSA-N |