4-[5-{[(2-fluoro-3-methylphenyl)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-{[(2-fluoro-3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline
4-[5-{[(2-fluoro-3-methylphenyl)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: | V004-9574 |
| Compound Name: | 4-[5-{[(2-fluoro-3-methylphenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline |
| Molecular Weight: | 556.66 |
| Molecular Formula: | C31 H29 F N4 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cccc(CSc2nnc(c3cc(c4cc(c(c(c4)OC)OC)OC)nc4ccccc34)n2CC=C)c1F |
| Stereo: | ACHIRAL |
| logP: | 7.2743 |
| logD: | 6.8703 |
| logSw: | -6.0846 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.256 |
| InChI Key: | NNOIGOCTNXGFIG-UHFFFAOYSA-N |