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Home > Other Heterocycles > 189333-46-8
189333-46-8 | 3,9-Diazaspiro[5.5]undecane-1,5-dicarbonitrile, 2,4-dioxo-9-(phenylmethyl)-
CAS No: 189333-46-8 Catalog No: AG002IB5 MDL No:MFCD16619275
Product Description
Catalog Number:
AG002IB5
Chemical Name:
3,9-Diazaspiro[5.5]undecane-1,5-dicarbonitrile, 2,4-dioxo-9-(phenylmethyl)-
CAS Number:
189333-46-8
Molecular Formula:
C18H18N4O2
Molecular Weight:
322.3611
MDL Number:
MFCD16619275
IUPAC Name:
9-benzyl-2,4-dioxo-3,9-diazaspiro[5.5]undecane-1,5-dicarbonitrile
InChI:
InChI=1S/C18H18N4O2/c19-10-14-16(23)21-17(24)15(11-20)18(14)6-8-22(9-7-18)12-13-4-2-1-3-5-13/h1-5,14-15H,6-9,12H2,(H,21,23,24)
InChI Key:
QQUSQTIEZXJTMQ-UHFFFAOYSA-N
SMILES:
N#CC1C(=O)NC(=O)C(C21CCN(CC2)Cc1ccccc1)C#N
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.143g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.368g/mol
Monoisotopic Mass:
322.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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