4-[5-{[(2-chloro-5-fluorophenyl)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-chloro-5-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline
4-[5-{[(2-chloro-5-fluorophenyl)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: | V007-5275 |
| Compound Name: | 4-[5-{[(2-chloro-5-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-2-(3,4,5-trimethoxyphenyl)quinoline |
| Molecular Weight: | 577.08 |
| Molecular Formula: | C30 H26 Cl F N4 O3 S |
| Salt: | not_available |
| Smiles: | COc1cc(cc(c1OC)OC)c1cc(c2ccccc2n1)c1nnc(n1CC=C)SCc1cc(ccc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 7.274 |
| logD: | 6.87 |
| logSw: | -6.6584 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.256 |
| InChI Key: | JIMRVPDKTPOBBJ-UHFFFAOYSA-N |