2-{[2-(methylsulfanyl)phenyl]sulfanyl}-N-[(oxolan-2-yl)methyl]quinoline-4-carboxamide
Chemical Structure Depiction of
2-{[2-(methylsulfanyl)phenyl]sulfanyl}-N-[(oxolan-2-yl)methyl]quinoline-4-carboxamide
2-{[2-(methylsulfanyl)phenyl]sulfanyl}-N-[(oxolan-2-yl)methyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-9606 |
| Compound Name: | 2-{[2-(methylsulfanyl)phenyl]sulfanyl}-N-[(oxolan-2-yl)methyl]quinoline-4-carboxamide |
| Molecular Weight: | 410.56 |
| Molecular Formula: | C22 H22 N2 O2 S2 |
| Smiles: | CSc1ccccc1Sc1cc(C(NCC2CCCO2)=O)c2ccccc2n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6788 |
| logD: | 4.6788 |
| logSw: | -4.4831 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.726 |
| InChI Key: | JFIGCBIOIKLHIH-OAHLLOKOSA-N |