3-O-ethyl 5-O-methyl 4-(2-chlorophenyl)-1-deuterio-2-[2-(dideuterioamino)ethoxymethyl]-6-methyl-4H-pyridine-3,5-dicarboxylate


Chemical Name: 3-O-ethyl 5-O-methyl 4-(2-chlorophenyl)-1-deuterio-2-[2-(dideuterioamino)ethoxymethyl]-6-methyl-4H-pyridine-3,5-dicarboxylate
CAS Number: 88150-42-9
Product Number: AG00IEZM(AGN-PC-04XESE)
Synonyms:
MDL No: MFCD00887594
Molecular Formula: C20H25ClN2O5
Molecular Weight: 408.8759

Identification/Properties


Computed Properties
Molecular Weight:
408.879g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
10
Exact Mass:
408.145g/mol
Monoisotopic Mass:
408.145g/mol
Topological Polar Surface Area:
99.9A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
647
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-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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