N-(5-chloropyridin-2-yl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloropyridin-2-yl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-chloropyridin-2-yl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y206-0059 |
| Compound Name: | N-(5-chloropyridin-2-yl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 349.84 |
| Molecular Formula: | C15 H16 Cl N5 O S |
| Smiles: | C=CCn1c(C2CC2)nnc1SCC(Nc1ccc(cn1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3505 |
| logD: | 3.3417 |
| logSw: | -3.5163 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.596 |
| InChI Key: | VDVOTITVLXNVIG-UHFFFAOYSA-N |