methyl 6-chloro-2-({2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 6-chloro-2-({2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 6-chloro-2-({2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0727 |
| Compound Name: | methyl 6-chloro-2-({2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 460.89 |
| Molecular Formula: | C21 H17 Cl N2 O6 S |
| Smiles: | COC(C1=C(Nc2ccc(cc2C1=O)[Cl])SCC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0181 |
| logD: | 0.8764 |
| logSw: | -4.4797 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.038 |
| InChI Key: | SKYXEBLULXGLPL-UHFFFAOYSA-N |