N-(2H-1,3-benzodioxol-5-yl)-6-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-6-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyridine-3-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-6-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | G843-0994 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-6-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyridine-3-carboxamide |
| Molecular Weight: | 416.35 |
| Molecular Formula: | C21 H15 F3 N2 O4 |
| Smiles: | C(c1cccc(c1)C(F)(F)F)N1C=C(C=CC1=O)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1187 |
| logD: | 3.0106 |
| logSw: | -3.4013 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.956 |
| InChI Key: | VPWMZNZZWMEMHU-UHFFFAOYSA-N |