2-(2H-1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]quinoline-4-carboxamide
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]quinoline-4-carboxamide
2-(2H-1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]quinoline-4-carboxamide
Compound characteristics
| Compound ID: | V010-9998 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-N-[(3-fluorophenyl)methyl]quinoline-4-carboxamide |
| Molecular Weight: | 400.41 |
| Molecular Formula: | C24 H17 F N2 O3 |
| Salt: | not_available |
| Smiles: | C(c1cccc(c1)F)NC(c1cc(c2ccc3c(c2)OCO3)nc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.482 |
| logD: | 5.4811 |
| logSw: | -6.129 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.826 |
| InChI Key: | PKHJATMTDJREFG-UHFFFAOYSA-N |