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35824-91-0 | 1,3-DICYCLOHEXYLBARBITURIC ACID
CAS No: 35824-91-0 Catalog No: AG003DJJ MDL No:MFCD01216967
Product Description
Catalog Number:
AG003DJJ
Chemical Name:
1,3-DICYCLOHEXYLBARBITURIC ACID
CAS Number:
35824-91-0
Molecular Formula:
C16H24N2O3
Molecular Weight:
292.3734
MDL Number:
MFCD01216967
IUPAC Name:
1,3-dicyclohexyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C16H24N2O3/c19-14-11-15(20)18(13-9-5-2-6-10-13)16(21)17(14)12-7-3-1-4-8-12/h12-13H,1-11H2
InChI Key:
PRZQJMWBZWAUKW-UHFFFAOYSA-N
SMILES:
O=C1N(C2CCCCC2)C(=O)CC(=O)N1C1CCCCC1
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.179g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.379g/mol
Monoisotopic Mass:
292.179g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Pyrimidine-2,4,6-trione derivatives and their inhibition of mutant SOD1-dependent protein aggregation. Toward a treatment for amyotrophic lateral sclerosis. | Journal of medicinal chemistry 20110414 |
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