methyl 2-({2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-({2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-({2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0781 |
| Compound Name: | methyl 2-({2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C21 H18 N2 O6 S |
| Smiles: | COC(C1=C(Nc2ccccc2C1=O)SCC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2795 |
| logD: | 1.9158 |
| logSw: | -3.8025 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.038 |
| InChI Key: | LYDLVGJQCQRHEY-UHFFFAOYSA-N |