ethyl {[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
ethyl {[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V010-3991 |
| Compound Name: | ethyl {[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 321.37 |
| Molecular Formula: | C15 H16 F N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(CSc1nnc(c2ccccc2F)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0244 |
| logD: | 3.0244 |
| logSw: | -3.389 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.649 |
| InChI Key: | PXYMDKCFPJVRTH-UHFFFAOYSA-N |