4-[5-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Chemical Structure Depiction of
4-[5-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
4-[5-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline
Compound characteristics
| Compound ID: | V003-4810 |
| Compound Name: | 4-[5-{[(3,5-difluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-phenylquinoline |
| Molecular Weight: | 470.54 |
| Molecular Formula: | C27 H20 F2 N4 S |
| Smiles: | C=CCn1c(c2cc(c3ccccc3)nc3ccccc23)nnc1SCc1cc(cc(c1)F)F |
| Stereo: | ACHIRAL |
| logP: | 7.2635 |
| logD: | 7.2626 |
| logSw: | -6.7352 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.278 |
| InChI Key: | XAXFFIFFUUPKKI-UHFFFAOYSA-N |