ethyl 2-({[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
Chemical Structure Depiction of
ethyl 2-({[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
ethyl 2-({[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate
Compound characteristics
| Compound ID: | G751-1678 |
| Compound Name: | ethyl 2-({[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}methyl)-4-oxo-1,4-dihydroquinoline-6-carboxylate |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C23 H24 N2 O4 S |
| Smiles: | CCOC(c1ccc2c(c1)C(C=C(CSCC(Nc1cc(C)cc(C)c1)=O)N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1046 |
| logD: | 4.9139 |
| logSw: | -4.855 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.665 |
| InChI Key: | YGJWATGVPUTDLZ-UHFFFAOYSA-N |