Etravirine-13C3


Chemical Name: Etravirine-13C3
CAS Number: 1189671-48-4
Product Number: AG007R8I(AGN-PC-0WAGTS)
Synonyms:
MDL No:
Molecular Formula: C20H15BrN6O
Molecular Weight: 438.2547

Identification/Properties


Computed Properties
Molecular Weight:
438.262g/mol
XLogP3:
4.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
4
Exact Mass:
437.059g/mol
Monoisotopic Mass:
437.059g/mol
Topological Polar Surface Area:
121A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
609
Isotope Atom Count:
3
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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