di-tert-butyl 2,6-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
di-tert-butyl 2,6-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate
di-tert-butyl 2,6-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | Y070-0362 |
| Compound Name: | di-tert-butyl 2,6-dimethyl-4-[5-(2-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C27 H32 N2 O7 |
| Smiles: | CC1=C(C(C(=C(C)N1)C(=O)OC(C)(C)C)c1ccc(c2ccccc2[N+]([O-])=O)o1)C(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.867 |
| logD: | 1.5862 |
| logSw: | -5.6038 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.56 |
| InChI Key: | DKOZWAPWDSYKJI-UHFFFAOYSA-N |