N-(2H-1,3-benzodioxol-5-yl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide
Compound characteristics
| Compound ID: | G842-0773 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-oxo-1-{[3-(trifluoromethyl)phenyl]methyl}-1,2-dihydropyridine-3-carboxamide |
| Molecular Weight: | 416.35 |
| Molecular Formula: | C21 H15 F3 N2 O4 |
| Smiles: | C(c1cccc(c1)C(F)(F)F)N1C=CC=C(C(Nc2ccc3c(c2)OCO3)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.435 |
| logD: | 3.079 |
| logSw: | -3.7276 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.159 |
| InChI Key: | XQEMERJKYTUFIJ-UHFFFAOYSA-N |