methyl 2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | C200-3979 |
| Compound Name: | methyl 2-{[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CSC1=C(C(c2ccccc2N1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8817 |
| logD: | 2.5181 |
| logSw: | -4.0252 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.864 |
| InChI Key: | GEZBDIQLZLPHFK-UHFFFAOYSA-N |