3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione


Chemical Name: 3-benzyl-4-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CAS Number: 50886-63-0
Product Number: AG00DKMS(AGN-PC-00Q2CI)
Synonyms:
MDL No: MFCD14635382
Molecular Formula: C17H16N2O2
Molecular Weight: 280.3211

Identification/Properties


Computed Properties
Molecular Weight:
280.327g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
280.121g/mol
Monoisotopic Mass:
280.121g/mol
Topological Polar Surface Area:
49.4A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
404
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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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