di-tert-butyl 4-[5-(3-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
di-tert-butyl 4-[5-(3-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
di-tert-butyl 4-[5-(3-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | Y070-0363 |
| Compound Name: | di-tert-butyl 4-[5-(3-chlorophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 486.01 |
| Molecular Formula: | C27 H32 Cl N O5 |
| Smiles: | CC1=C(C(C(=C(C)N1)C(=O)OC(C)(C)C)c1ccc(c2cccc(c2)[Cl])o1)C(=O)OC(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 6.9447 |
| logD: | 2.6639 |
| logSw: | -6.5162 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.48 |
| InChI Key: | UPHNNWPMPDDWCA-UHFFFAOYSA-N |