N-(4-fluoro-3-nitrophenyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
Chemical Structure Depiction of
N-(4-fluoro-3-nitrophenyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
N-(4-fluoro-3-nitrophenyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
Compound characteristics
| Compound ID: | 8020-8432 |
| Compound Name: | N-(4-fluoro-3-nitrophenyl)-3-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide |
| Molecular Weight: | 486.41 |
| Molecular Formula: | C23 H19 F N2 O9 |
| Smiles: | CC1=CC(=C(C(CC(Nc2ccc(c(c2)[N+]([O-])=O)F)=O)c2cc(c3c(c2)OCO3)OC)C(=O)O1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0055 |
| logD: | 0.0138 |
| logSw: | -3.5464 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 118.259 |
| InChI Key: | DWZKGNWCVWMHBI-AWEZNQCLSA-N |