Home Other Building Blocks 4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-carboxamide

4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-carboxamide

CAS No.:
224811-67-0
Catalog Number:
AG01AB02
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
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Product Description
Catalog Number:
AG01AB02
Chemical Name:
4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-carboxamide
CAS Number:
224811-67-0
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
MDL Number:
MFCD17977020
IUPAC Name:
4-oxo-1,2,3,5-tetrahydro-1,5-benzodiazepine-7-carboxamide
InChI:
InChI=1S/C10H11N3O2/c11-10(15)6-1-2-7-8(5-6)13-9(14)3-4-12-7/h1-2,5,12H,3-4H2,(H2,11,15)(H,13,14)
InChI Key:
OBMNBUOAZSKHEA-UHFFFAOYSA-N
SMILES:
O=C1CCNc2c(N1)cc(cc2)C(=O)N
Properties
Complexity:
280  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties