benzyl {[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
benzyl {[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V007-6013 |
| Compound Name: | benzyl {[5-(2-chlorophenyl)-4-(2-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 453.92 |
| Molecular Formula: | C23 H17 Cl F N3 O2 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)OC(CSc1nnc(c2ccccc2[Cl])n1c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4533 |
| logD: | 5.4533 |
| logSw: | -5.8824 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.946 |
| InChI Key: | GIWXQYZGVGADPK-UHFFFAOYSA-N |