methyl 2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
methyl 2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | G023-0787 |
| Compound Name: | methyl 2-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)-4-oxo-1,4-dihydroquinoline-3-carboxylate |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C20 H18 N2 O4 S2 |
| Smiles: | COC(C1=C(Nc2ccccc2C1=O)SCC(Nc1cccc(c1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6497 |
| logD: | 2.286 |
| logSw: | -4.0535 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.864 |
| InChI Key: | ZHBMUKLOUWVVDH-UHFFFAOYSA-N |