methyl 4-oxo-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1,4-dihydroquinoline-3-carboxylate
methyl 4-oxo-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0790 |
| Compound Name: | methyl 4-oxo-2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 410.49 |
| Molecular Formula: | C22 H22 N2 O4 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CSC1=C(C(c2ccccc2N1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.527 |
| logD: | 3.1633 |
| logSw: | -4.3936 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.864 |
| InChI Key: | SGUPATAULKZORO-UHFFFAOYSA-N |