N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-9270 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[3-(methylsulfanyl)phenyl]sulfanyl}quinoline-4-carboxamide |
| Molecular Weight: | 460.57 |
| Molecular Formula: | C25 H20 N2 O3 S2 |
| Smiles: | CSc1cccc(c1)Sc1cc(C(NCc2ccc3c(c2)OCO3)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 6.0686 |
| logD: | 6.0686 |
| logSw: | -5.7101 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.187 |
| InChI Key: | KCQWNQXSLFFVGK-UHFFFAOYSA-N |