4-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-6-ethoxy-2-(4-methoxyphenyl)quinoline
Chemical Structure Depiction of
4-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-6-ethoxy-2-(4-methoxyphenyl)quinoline
4-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-6-ethoxy-2-(4-methoxyphenyl)quinoline
Compound characteristics
Compound ID: | V003-4776 |
Compound Name: | 4-(5-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-6-ethoxy-2-(4-methoxyphenyl)quinoline |
Molecular Weight: | 510.66 |
Molecular Formula: | C30 H30 N4 O2 S |
Salt: | not_available |
Smiles: | CCOc1ccc2c(c1)c(cc(c1ccc(cc1)OC)n2)c1nnc(n1C)SCc1cc(C)cc(C)c1 |
Stereo: | ACHIRAL |
logP: | 7.9506 |
logD: | 7.9264 |
logSw: | -5.9591 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 47.777 |
InChI Key: | HXSZCDFRYQTFII-UHFFFAOYSA-N |