3,5-Pyridinedicarboxylic acid,2-[(dimethylamino)methyl]-4-[2-[3-(1,1-dimethylethoxy)-3-oxo-1-propenyl]phenyl]-1,4-dihydro-6-methyl-, diethyl ester, (E)-


Chemical Name: 3,5-Pyridinedicarboxylic acid,2-[(dimethylamino)methyl]-4-[2-[3-(1,1-dimethylethoxy)-3-oxo-1-propenyl]phenyl]-1,4-dihydro-6-methyl-, diethyl ester, (E)-
CAS Number: 108687-08-7
Product Number: AG0083DA(AGN-PC-0OYRH7)
Synonyms:
MDL No:
Molecular Formula: C28H38N2O6
Molecular Weight: 498.6111

Identification/Properties


Computed Properties
Molecular Weight:
498.62g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
13
Exact Mass:
498.273g/mol
Monoisotopic Mass:
498.273g/mol
Topological Polar Surface Area:
94.2A^2
Heavy Atom Count:
36
Formal Charge:
0
Complexity:
910
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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