methyl 4-(benzyloxy)-2-{[(4-chlorophenyl)methyl]sulfanyl}quinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(benzyloxy)-2-{[(4-chlorophenyl)methyl]sulfanyl}quinoline-3-carboxylate
methyl 4-(benzyloxy)-2-{[(4-chlorophenyl)methyl]sulfanyl}quinoline-3-carboxylate
Compound characteristics
| Compound ID: | G198-0729 |
| Compound Name: | methyl 4-(benzyloxy)-2-{[(4-chlorophenyl)methyl]sulfanyl}quinoline-3-carboxylate |
| Molecular Weight: | 449.96 |
| Molecular Formula: | C25 H20 Cl N O3 S |
| Smiles: | COC(c1c(c2ccccc2nc1SCc1ccc(cc1)[Cl])OCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.538 |
| logD: | 6.538 |
| logSw: | -6.3977 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.004 |
| InChI Key: | VCTWVBYLFADIOK-UHFFFAOYSA-N |