methyl 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0805 |
| Compound Name: | methyl 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 353.44 |
| Molecular Formula: | C20 H19 N O3 S |
| Smiles: | Cc1ccc(C)c(CSC2=C(C(c3ccccc3N2)=O)C(=O)OC)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0184 |
| logD: | 3.8657 |
| logSw: | -4.6458 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.715 |
| InChI Key: | PMZSBSBCKKXEFQ-UHFFFAOYSA-N |