4-[4-(prop-2-en-1-yl)-5-({[3-(trifluoromethyl)phenyl]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-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline
4-[4-(prop-2-en-1-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline
Compound characteristics
| Compound ID: | V003-4834 |
| Compound Name: | 4-[4-(prop-2-en-1-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline |
| Molecular Weight: | 592.64 |
| Molecular Formula: | C31 H27 F3 N4 O3 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1OC)OC)c1cc(c2ccccc2n1)c1nnc(n1CC=C)SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 7.1767 |
| logD: | 6.7727 |
| logSw: | -6.2537 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.256 |
| InChI Key: | IMWKBMBUHPMGQV-UHFFFAOYSA-N |