benzyl {[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
benzyl {[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V015-0374 |
| Compound Name: | benzyl {[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C19 H19 N3 O2 S |
| Smiles: | Cc1cccc(c1)n1c(C)nnc1SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5869 |
| logD: | 3.5866 |
| logSw: | -3.7605 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.295 |
| InChI Key: | YYQJJNMZZLNAED-UHFFFAOYSA-N |