methyl 2-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0750 |
| Compound Name: | methyl 2-{[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl}-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 396.46 |
| Molecular Formula: | C21 H20 N2 O4 S |
| Smiles: | Cc1cccc(C)c1NC(CSC1=C(C(c2ccccc2N1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3735 |
| logD: | 2.0098 |
| logSw: | -3.8143 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.468 |
| InChI Key: | JUPAGZVNIVYCSZ-UHFFFAOYSA-N |