2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Chemical Structure Depiction of
2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | Y508-7774 |
| Compound Name: | 2-{[5-(anilinomethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-chlorophenyl)acetamide |
| Molecular Weight: | 413.93 |
| Molecular Formula: | C20 H20 Cl N5 O S |
| Smiles: | C=CCn1c(CNc2ccccc2)nnc1SCC(Nc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.319 |
| logD: | 3.3189 |
| logSw: | -3.4751 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.153 |
| InChI Key: | NIXSTHLHKXLXHM-UHFFFAOYSA-N |