N-benzyl-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-benzyl-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-benzyl-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y206-0153 |
| Compound Name: | N-benzyl-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 365.46 |
| Molecular Formula: | C19 H19 N5 O S |
| Smiles: | C=CCn1c(c2cccnc2)nnc1SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2419 |
| logD: | 2.2295 |
| logSw: | -2.1051 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.208 |
| InChI Key: | WXTVYQVXIFUBSS-UHFFFAOYSA-N |