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Home Other Building Blocks 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3,5-dione

2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3,5-dione

CAS No.:
137133-35-8
Catalog Number:
AG01A3TL
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
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Product Description
Catalog Number:
AG01A3TL
Chemical Name:
2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-3,5-dione
CAS Number:
137133-35-8
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD20662763
IUPAC Name:
1,2-dihydro-1,4-benzodiazepine-3,5-dione
InChI:
InChI=1S/C9H8N2O2/c12-8-5-10-7-4-2-1-3-6(7)9(13)11-8/h1-4,10H,5H2,(H,11,12,13)
InChI Key:
MPKOCPLCVPHANZ-UHFFFAOYSA-N
SMILES:
O=C1CNc2c(C(=O)N1)cccc2
Properties
Complexity:
240  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Literature
Title Journal
Synthesis and pharmacological activity of 1,4-benzodiazepine derivatives. Bollettino chimico farmaceutico 20020101
Properties