6-ethoxy-4-(5-{[(2-fluoro-3-methylphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-(4-methoxyphenyl)quinoline
Chemical Structure Depiction of
6-ethoxy-4-(5-{[(2-fluoro-3-methylphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-(4-methoxyphenyl)quinoline
6-ethoxy-4-(5-{[(2-fluoro-3-methylphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-(4-methoxyphenyl)quinoline
Compound characteristics
Compound ID: | V004-9539 |
Compound Name: | 6-ethoxy-4-(5-{[(2-fluoro-3-methylphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-(4-methoxyphenyl)quinoline |
Molecular Weight: | 514.62 |
Molecular Formula: | C29 H27 F N4 O2 S |
Salt: | not_available |
Smiles: | CCOc1ccc2c(c1)c(cc(c1ccc(cc1)OC)n2)c1nnc(n1C)SCc1cccc(C)c1F |
Stereo: | ACHIRAL |
logP: | 7.5309 |
logD: | 7.5066 |
logSw: | -5.9746 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 47.777 |
InChI Key: | JMHKUZWCODWWBE-UHFFFAOYSA-N |