3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-[4-(diphenylmethyl)-1-piperazinyl]ethyl methyl ester


Chemical Name: 3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-[4-(diphenylmethyl)-1-piperazinyl]ethyl methyl ester
CAS Number: 89226-50-6
Product Number: AG000QAH(AGN-PC-0VOP30)
Synonyms:
MDL No:
Molecular Formula: C35H38N4O6
Molecular Weight: 610.6994

Identification/Properties


Computed Properties
Molecular Weight:
610.711g/mol
XLogP3:
5.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
9
Rotatable Bond Count:
11
Exact Mass:
610.279g/mol
Monoisotopic Mass:
610.279g/mol
Topological Polar Surface Area:
117A^2
Heavy Atom Count:
45
Formal Charge:
0
Complexity:
1090
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
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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