methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-{[2-methoxy-5-(methoxycarbonyl)phenyl]methoxy}quinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-{[2-methoxy-5-(methoxycarbonyl)phenyl]methoxy}quinoline-3-carboxylate
methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-{[2-methoxy-5-(methoxycarbonyl)phenyl]methoxy}quinoline-3-carboxylate
Compound characteristics
| Compound ID: | C201-0286 |
| Compound Name: | methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-{[2-methoxy-5-(methoxycarbonyl)phenyl]methoxy}quinoline-3-carboxylate |
| Molecular Weight: | 556.01 |
| Molecular Formula: | C28 H23 Cl F N O6 S |
| Smiles: | COC(c1ccc(c(COc2c(C(=O)OC)c(nc3ccccc23)SCc2ccc(cc2[Cl])F)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1197 |
| logD: | 7.1197 |
| logSw: | -6.5586 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 65.808 |
| InChI Key: | BRVZEPHUXKCEGX-UHFFFAOYSA-N |