4-[4-(prop-2-en-1-yl)-5-{[(2,3,5,6-tetrafluoro-4-methoxyphenyl)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-{[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline
4-[4-(prop-2-en-1-yl)-5-{[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline
Compound characteristics
| Compound ID: | V004-8107 |
| Compound Name: | 4-[4-(prop-2-en-1-yl)-5-{[(2,3,5,6-tetrafluoro-4-methoxyphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline |
| Molecular Weight: | 626.63 |
| Molecular Formula: | C31 H26 F4 N4 O4 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1OC)OC)c1cc(c2ccccc2n1)c1nnc(n1CC=C)SCc1c(c(c(c(c1F)F)OC)F)F |
| Stereo: | ACHIRAL |
| logP: | 7.4962 |
| logD: | 7.0922 |
| logSw: | -6.1261 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.973 |
| InChI Key: | NXUDPEOREAHZSU-UHFFFAOYSA-N |