(2H-1,3-benzodioxol-5-yl)methyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
(2H-1,3-benzodioxol-5-yl)methyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
(2H-1,3-benzodioxol-5-yl)methyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | C276-1439 |
| Compound Name: | (2H-1,3-benzodioxol-5-yl)methyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 410.38 |
| Molecular Formula: | C21 H18 N2 O7 |
| Smiles: | CC1=C(C(CC(N1)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)OCc1ccc2c(c1)OCO2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9505 |
| logD: | 2.2294 |
| logSw: | -3.3646 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.794 |
| InChI Key: | OJXZMAFJLIPMEL-INIZCTEOSA-N |