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946619-21-2 | 4-(8-bromo-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl)pyridine-2-carbonitrile
CAS No: 946619-21-2 Catalog No: AG01FGAS MDL No:
Product Description
Catalog Number:
AG01FGAS
Chemical Name:
4-(8-bromo-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl)pyridine-2-carbonitrile
CAS Number:
946619-21-2
Molecular Formula:
C15H9BrN4O
Molecular Weight:
341.1622
IUPAC Name:
4-(8-bromo-2-oxo-1,3-dihydro-1,5-benzodiazepin-4-yl)pyridine-2-carbonitrile
InChI:
InChI=1S/C15H9BrN4O/c16-10-1-2-12-14(6-10)20-15(21)7-13(19-12)9-3-4-18-11(5-9)8-17/h1-6H,7H2,(H,20,21)
InChI Key:
KMKZCMKOSAKVGY-UHFFFAOYSA-N
SMILES:
N#Cc1nccc(c1)C1=Nc2ccc(cc2NC(=O)C1)Br
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.996g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.168g/mol
Monoisotopic Mass:
339.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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