methyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0800 |
| Compound Name: | methyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 359.83 |
| Molecular Formula: | C18 H14 Cl N O3 S |
| Smiles: | COC(C1=C(Nc2ccccc2C1=O)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.108 |
| logD: | 2.9553 |
| logSw: | -4.6174 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.715 |
| InChI Key: | RCXQRLUIQVAONC-UHFFFAOYSA-N |