benzyl {[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
benzyl {[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V004-7158 |
| Compound Name: | benzyl {[5-(2-chlorophenyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 465.96 |
| Molecular Formula: | C24 H20 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccccc1n1c(c2ccccc2[Cl])nnc1SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2766 |
| logD: | 5.2764 |
| logSw: | -5.611 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.576 |
| InChI Key: | IHXDHJUSFUWFMX-UHFFFAOYSA-N |