benzyl {[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
benzyl {[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V010-1129 |
| Compound Name: | benzyl {[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C25 H23 N3 O2 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)n1c(Cc2ccccc2)nnc1SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.3687 |
| logD: | 5.3687 |
| logSw: | -5.4176 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.223 |
| InChI Key: | VODGCLFBNBUVOL-UHFFFAOYSA-N |