methyl 2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0802 |
| Compound Name: | methyl 2-{[(2-methylphenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C19 H17 N O3 S |
| Smiles: | Cc1ccccc1CSC1=C(C(c2ccccc2N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.591 |
| logD: | 3.4383 |
| logSw: | -4.5247 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.715 |
| InChI Key: | HWJGDQLKVFTSNJ-UHFFFAOYSA-N |