methyl 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate
methyl 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate
Compound characteristics
| Compound ID: | G198-0792 |
| Compound Name: | methyl 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-[(4-fluorophenyl)methoxy]quinoline-3-carboxylate |
| Molecular Weight: | 461.55 |
| Molecular Formula: | C27 H24 F N O3 S |
| Smiles: | Cc1ccc(C)c(CSc2c(C(=O)OC)c(c3ccccc3n2)OCc2ccc(cc2)F)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.4775 |
| logD: | 7.4775 |
| logSw: | -5.8872 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.004 |
| InChI Key: | ARBBEDCEMQPTID-UHFFFAOYSA-N |