benzyl {[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
benzyl {[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V011-7662 |
| Compound Name: | benzyl {[5-(2-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H18 F N3 O2 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)OC(CSc1nnc(c2ccccc2F)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9186 |
| logD: | 4.9186 |
| logSw: | -5.0965 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.247 |
| InChI Key: | IPKAYGSVAVDUTR-UHFFFAOYSA-N |