di(prop-2-en-1-yl) 4-[5-(3-bromophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
di(prop-2-en-1-yl) 4-[5-(3-bromophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
di(prop-2-en-1-yl) 4-[5-(3-bromophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
Compound ID: | 4476-4954 |
Compound Name: | di(prop-2-en-1-yl) 4-[5-(3-bromophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
Molecular Weight: | 498.37 |
Molecular Formula: | C25 H24 Br N O5 |
Smiles: | CC1=C(C(C(=C(C)N1)C(=O)OCC=C)c1ccc(c2cccc(c2)[Br])o1)C(=O)OCC=C |
Stereo: | ACHIRAL |
logP: | 5.5047 |
logD: | 1.7388 |
logSw: | -5.5722 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 60.849 |
InChI Key: | MWFHXALCTOTLMT-UHFFFAOYSA-N |