N-(2,6-dimethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(2,6-dimethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K822-0226 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 379.48 |
| Molecular Formula: | C20 H21 N5 O S |
| Smiles: | Cc1cccc(C)c1NC(CSc1nnc(c2cccnc2)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7453 |
| logD: | 2.7328 |
| logSw: | -2.4672 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.491 |
| InChI Key: | PJCSNQPHHZEAMJ-UHFFFAOYSA-N |