4-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-6-ethoxy-2-(4-methoxyphenyl)quinoline
Chemical Structure Depiction of
4-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-6-ethoxy-2-(4-methoxyphenyl)quinoline
4-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-6-ethoxy-2-(4-methoxyphenyl)quinoline
Compound characteristics
| Compound ID: | V004-9598 |
| Compound Name: | 4-(5-{[(4-bromo-2-fluorophenyl)methyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-6-ethoxy-2-(4-methoxyphenyl)quinoline |
| Molecular Weight: | 579.49 |
| Molecular Formula: | C28 H24 Br F N4 O2 S |
| Salt: | not_available |
| Smiles: | CCOc1ccc2c(c1)c(cc(c1ccc(cc1)OC)n2)c1nnc(n1C)SCc1ccc(cc1F)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.7672 |
| logD: | 7.743 |
| logSw: | -6.019 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.777 |
| InChI Key: | OSDLSEUIQVBLDA-UHFFFAOYSA-N |