methyl 4-oxo-2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,4-dihydroquinoline-3-carboxylate
methyl 4-oxo-2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0792 |
| Compound Name: | methyl 4-oxo-2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CSC1=C(C(c2ccccc2N1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.702 |
| logD: | 2.3383 |
| logSw: | -4.0132 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.468 |
| InChI Key: | CLUFNVUBYLMRAO-UHFFFAOYSA-N |