methyl 6-methyl-2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 6-methyl-2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 6-methyl-2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-1285 |
| Compound Name: | methyl 6-methyl-2-{[2-(2-methylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | Cc1ccc2c(c1)C(C(=C(N2)SCC(Nc1ccccc1C)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4478 |
| logD: | 1.9675 |
| logSw: | -3.754 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.166 |
| InChI Key: | CCFXNQRYPPAUAJ-UHFFFAOYSA-N |