(1S)-1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline


Chemical Name: (1S)-1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CAS Number: 21088-15-3
Product Number: AG002L0N(AGN-PC-0KGN0A)
Synonyms:
MDL No:
Molecular Formula: C24H33NO4
Molecular Weight: 399.5231

Identification/Properties


Computed Properties
Molecular Weight:
399.531g/mol
XLogP3:
4.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
10
Exact Mass:
399.241g/mol
Monoisotopic Mass:
399.241g/mol
Topological Polar Surface Area:
49A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
462
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

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NMR Spectrum


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