diethyl 2,6-dimethyl-4-[2-[(Z)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate


Chemical Name: diethyl 2,6-dimethyl-4-[2-[(Z)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
CAS Number: 103890-78-4
Product Number: AG00HA7S(AGN-PC-00KCMC)
Synonyms:
MDL No:
Molecular Formula: C26H33NO6
Molecular Weight: 455.5433

Identification/Properties


Computed Properties
Molecular Weight:
455.551g/mol
XLogP3:
4.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
11
Exact Mass:
455.231g/mol
Monoisotopic Mass:
455.231g/mol
Topological Polar Surface Area:
90.9A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
805
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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