methyl 2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-1287 |
| Compound Name: | methyl 2-{[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl}-6-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Smiles: | Cc1ccc(c(C)c1)NC(CSC1=C(C(c2cc(C)ccc2N1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1356 |
| logD: | 2.6553 |
| logSw: | -4.1571 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.166 |
| InChI Key: | HRRNXPXCOHVSDN-UHFFFAOYSA-N |