N-(5-chloropyridin-2-yl)-2-{[5-(2-methylfuran-3-yl)-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-(2-methylfuran-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(5-chloropyridin-2-yl)-2-{[5-(2-methylfuran-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y206-0056 |
| Compound Name: | N-(5-chloropyridin-2-yl)-2-{[5-(2-methylfuran-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 389.86 |
| Molecular Formula: | C17 H16 Cl N5 O2 S |
| Smiles: | Cc1c(cco1)c1nnc(n1CC=C)SCC(Nc1ccc(cn1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5205 |
| logD: | 3.5118 |
| logSw: | -3.833 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.306 |
| InChI Key: | NIYBRUWQTRPWCF-UHFFFAOYSA-N |