benzyl 4-(2-chloro-5-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Chemical Structure Depiction of
benzyl 4-(2-chloro-5-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
benzyl 4-(2-chloro-5-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0104 |
| Compound Name: | benzyl 4-(2-chloro-5-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate |
| Molecular Weight: | 400.82 |
| Molecular Formula: | C20 H17 Cl N2 O5 |
| Smiles: | CC1=C(C(CC(N1)=O)c1cc(ccc1[Cl])[N+]([O-])=O)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8129 |
| logD: | 3.2189 |
| logSw: | -4.2186 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.678 |
| InChI Key: | QYFCJQGLHVNPTE-INIZCTEOSA-N |