methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(2-chlorophenyl)methoxy]quinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(2-chlorophenyl)methoxy]quinoline-3-carboxylate
methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(2-chlorophenyl)methoxy]quinoline-3-carboxylate
Compound characteristics
| Compound ID: | C201-0257 |
| Compound Name: | methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-[(2-chlorophenyl)methoxy]quinoline-3-carboxylate |
| Molecular Weight: | 502.39 |
| Molecular Formula: | C25 H18 Cl2 F N O3 S |
| Smiles: | COC(c1c(c2ccccc2nc1SCc1ccc(cc1[Cl])F)OCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.5953 |
| logD: | 7.5953 |
| logSw: | -6.6078 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.004 |
| InChI Key: | SMJRTPKGRQNKJC-UHFFFAOYSA-N |