N-(5-chloropyridin-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloropyridin-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-chloropyridin-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y205-9024 |
| Compound Name: | N-(5-chloropyridin-2-yl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 386.86 |
| Molecular Formula: | C17 H15 Cl N6 O S |
| Smiles: | C=CCn1c(c2ccncc2)nnc1SCC(Nc1ccc(cn1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0921 |
| logD: | 3.082 |
| logSw: | -3.5479 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.501 |
| InChI Key: | LYZCFXFWNNLFFJ-UHFFFAOYSA-N |