IWR-1-exo


Chemical Name: IWR-1-exo
CAS Number: 1127442-87-8
Product Number: AG008SRY(AGN-PC-0WAGH2)
Synonyms:
MDL No:
Molecular Formula: C25H19N3O3
Molecular Weight: 409.4367

Identification/Properties


Computed Properties
Molecular Weight:
409.445g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
409.143g/mol
Monoisotopic Mass:
409.143g/mol
Topological Polar Surface Area:
79.4A^2
Heavy Atom Count:
31
Formal Charge:
0
Complexity:
772
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
4
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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