2-(2H-1,3-benzodioxol-5-yl)-N-[2-(methylsulfanyl)phenyl]quinoline-4-carboxamide
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-N-[2-(methylsulfanyl)phenyl]quinoline-4-carboxamide
2-(2H-1,3-benzodioxol-5-yl)-N-[2-(methylsulfanyl)phenyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y205-2395 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-N-[2-(methylsulfanyl)phenyl]quinoline-4-carboxamide |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C24 H18 N2 O3 S |
| Smiles: | CSc1ccccc1NC(c1cc(c2ccc3c(c2)OCO3)nc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.608 |
| logD: | 5.608 |
| logSw: | -5.6854 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.806 |
| InChI Key: | AHRDOMRGAQTSKB-UHFFFAOYSA-N |