methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(2,4-dimethylphenyl)methoxy]quinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(2,4-dimethylphenyl)methoxy]quinoline-3-carboxylate
methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(2,4-dimethylphenyl)methoxy]quinoline-3-carboxylate
Compound characteristics
| Compound ID: | G198-0752 |
| Compound Name: | methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(2,4-dimethylphenyl)methoxy]quinoline-3-carboxylate |
| Molecular Weight: | 496 |
| Molecular Formula: | C27 H23 Cl F N O3 S |
| Smiles: | Cc1ccc(COc2c(C(=O)OC)c(nc3ccccc23)SCc2ccc(cc2[Cl])F)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.9895 |
| logD: | 7.9895 |
| logSw: | -6.7198 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.004 |
| InChI Key: | CQMWUZJSJBHAEU-UHFFFAOYSA-N |