dibenzyl 2,6-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dibenzyl 2,6-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate
dibenzyl 2,6-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 3236-0051 |
| Compound Name: | dibenzyl 2,6-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 564.6 |
| Molecular Formula: | C33 H28 N2 O7 |
| Smiles: | CC1=C(C(C(=C(C)N1)C(=O)OCc1ccccc1)c1ccc(c2ccccc2[N+]([O-])=O)o1)C(=O)OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3797 |
| logD: | 2.6138 |
| logSw: | -5.7065 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.549 |
| InChI Key: | XMBPQRNTXUSLKH-UHFFFAOYSA-N |