methyl 2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-1305 |
| Compound Name: | methyl 2-{[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 412.46 |
| Molecular Formula: | C21 H20 N2 O5 S |
| Smiles: | Cc1ccc2c(c1)C(C(=C(N2)SCC(Nc1ccc(cc1)OC)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6354 |
| logD: | 2.155 |
| logSw: | -3.9623 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.408 |
| InChI Key: | NANLFXDGQOLQKS-UHFFFAOYSA-N |