3-amino-5-phenyl-1,4-benzodiazepin-2-one


Chemical Name: 3-amino-5-phenyl-1,4-benzodiazepin-2-one
CAS Number: 103343-47-1
Product Number: AG008RUL(AGN-PC-03ONM1)
Synonyms:
MDL No:
Molecular Formula: C15H11N3O
Molecular Weight: 249.2673

Identification/Properties


Computed Properties
Molecular Weight:
251.289g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
251.106g/mol
Monoisotopic Mass:
251.106g/mol
Topological Polar Surface Area:
67.5A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
374
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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