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84377-97-9 | Ethyl 5-methyl-8-nitro-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate
CAS No: 84377-97-9 Catalog No: AG004X6B MDL No:MFCD17018723
Product Description
Catalog Number:
AG004X6B
Chemical Name:
Ethyl 5-methyl-8-nitro-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-3-carboxylate
CAS Number:
84377-97-9
Molecular Formula:
C15H14N4O5
Molecular Weight:
330.2955
MDL Number:
MFCD17018723
IUPAC Name:
ethyl 5-methyl-8-nitro-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
InChI:
InChI=1S/C15H14N4O5/c1-3-24-15(21)13-12-7-17(2)14(20)10-6-9(19(22)23)4-5-11(10)18(12)8-16-13/h4-6,8H,3,7H2,1-2H3
InChI Key:
IHISDHNVVJHQPP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ncn2c1CN(C)C(=O)c1c2ccc(c1)[N+](=O)[O-]
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.096g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.3g/mol
Monoisotopic Mass:
330.096g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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