benzyl {[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
benzyl {[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
benzyl {[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | V006-4618 |
| Compound Name: | benzyl {[5-(2-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 383.44 |
| Molecular Formula: | C20 H18 F N3 O2 S |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2ccccc2F)nnc1SCC(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2938 |
| logD: | 4.2938 |
| logSw: | -4.6733 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.753 |
| InChI Key: | WFXOEWPCKXOUFZ-UHFFFAOYSA-N |