benzyl {[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
benzyl {[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V015-0631 |
| Compound Name: | benzyl {[5-(3,5-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C25 H23 N3 O4 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1)OC)c1nnc(n1c1ccccc1)SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1137 |
| logD: | 5.1137 |
| logSw: | -5.1119 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.334 |
| InChI Key: | KDKCWSATBDGMER-UHFFFAOYSA-N |