methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-propoxyquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-propoxyquinoline-3-carboxylate
methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-propoxyquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G198-0747 |
| Compound Name: | methyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-4-propoxyquinoline-3-carboxylate |
| Molecular Weight: | 419.9 |
| Molecular Formula: | C21 H19 Cl F N O3 S |
| Smiles: | CCCOc1c(C(=O)OC)c(nc2ccccc12)SCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 6.4454 |
| logD: | 6.4454 |
| logSw: | -6.3464 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.194 |
| InChI Key: | JWXXHHWZTHPLER-UHFFFAOYSA-N |