4-[4-(prop-2-en-1-yl)-5-{[(2,4,5-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline
Chemical Structure Depiction of
4-[4-(prop-2-en-1-yl)-5-{[(2,4,5-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline
4-[4-(prop-2-en-1-yl)-5-{[(2,4,5-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline
Compound characteristics
| Compound ID: | V010-0072 |
| Compound Name: | 4-[4-(prop-2-en-1-yl)-5-{[(2,4,5-trifluorophenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline |
| Molecular Weight: | 578.61 |
| Molecular Formula: | C30 H25 F3 N4 O3 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1OC)OC)c1cc(c2ccccc2n1)c1nnc(n1CC=C)SCc1cc(c(cc1F)F)F |
| Stereo: | ACHIRAL |
| logP: | 6.9726 |
| logD: | 6.5687 |
| logSw: | -6.1112 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.256 |
| InChI Key: | QYYKLAFKVNJPRW-UHFFFAOYSA-N |