methyl 2-[(2-anilino-2-oxoethyl)sulfanyl]-6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(2-anilino-2-oxoethyl)sulfanyl]-6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-[(2-anilino-2-oxoethyl)sulfanyl]-6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0687 |
| Compound Name: | methyl 2-[(2-anilino-2-oxoethyl)sulfanyl]-6-chloro-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 402.85 |
| Molecular Formula: | C19 H15 Cl N2 O4 S |
| Smiles: | COC(C1=C(Nc2ccc(cc2C1=O)[Cl])SCC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7356 |
| logD: | 0.5939 |
| logSw: | -4.2087 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.864 |
| InChI Key: | OHFMHRHATFTRQG-UHFFFAOYSA-N |