benzyl {[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
benzyl {[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V011-7636 |
| Compound Name: | benzyl {[5-(3,5-dimethoxyphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C26 H25 N3 O4 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)n1c(c2cc(cc(c2)OC)OC)nnc1SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6586 |
| logD: | 5.6586 |
| logSw: | -5.3832 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.334 |
| InChI Key: | YIBVQOFSDRFFAJ-UHFFFAOYSA-N |