4-[5-({[5-fluoro-2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline
Chemical Structure Depiction of
4-[5-({[5-fluoro-2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline
4-[5-({[5-fluoro-2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline
Compound characteristics
| Compound ID: | V008-6169 |
| Compound Name: | 4-[5-({[5-fluoro-2-(trifluoromethyl)phenyl]methyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline |
| Molecular Weight: | 610.63 |
| Molecular Formula: | C31 H26 F4 N4 O3 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1OC)OC)c1cc(c2ccccc2n1)c1nnc(n1CC=C)SCc1cc(ccc1C(F)(F)F)F |
| Stereo: | ACHIRAL |
| logP: | 7.6262 |
| logD: | 7.2222 |
| logSw: | -6.1076 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.256 |
| InChI Key: | FFJXNXWWDIDDOC-UHFFFAOYSA-N |