2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-N,N-bis(trideuteriomethyl)ethanamine oxide


Chemical Name: 2-[5-(1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]-N,N-bis(trideuteriomethyl)ethanamine oxide
CAS Number: 260435-42-5
Product Number: AG002RHW(AGN-PC-088NLH)
Synonyms:
MDL No:
Molecular Formula: C15H19N5O
Molecular Weight: 285.3443

Identification/Properties


Computed Properties
Molecular Weight:
285.351g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
285.159g/mol
Monoisotopic Mass:
285.159g/mol
Topological Polar Surface Area:
64.6A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
351
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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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