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56195-25-6 | alpha-[2,3-dihydro-3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-1H-benzimidazole-2-acetonitrile
CAS No: 56195-25-6 Catalog No: AG00DMSP MDL No:
Product Description
Catalog Number:
AG00DMSP
Chemical Name:
alpha-[2,3-dihydro-3-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-1H-isoindol-1-ylidene]-1H-benzimidazole-2-acetonitrile
CAS Number:
56195-25-6
IUPAC Name:
2-(benzimidazol-2-ylidene)-2-[3-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2H-isoindol-1-yl]acetonitrile
InChI:
InChI=1S/C23H16N6O3/c1-28-21(30)17(22(31)29(2)23(28)32)19-13-8-4-3-7-12(13)18(27-19)14(11-24)20-25-15-9-5-6-10-16(15)26-20/h3-10,27,30H,1-2H3
InChI Key:
CGEIUUNMMUCGOL-UHFFFAOYSA-N
EC Number:
260-046-4
Properties
Complexity:
1120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.128g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
424.42g/mol
Monoisotopic Mass:
424.128g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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