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1653-85-6 | 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(cyclohexylamino)-
CAS No: 1653-85-6 Catalog No: AG001W2A MDL No:
Product Description
Catalog Number:
AG001W2A
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2,5-bis(cyclohexylamino)-
CAS Number:
1653-85-6
Molecular Formula:
C18H26N2O2
Molecular Weight:
302.4112
IUPAC Name:
2,5-bis(cyclohexylamino)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C18H26N2O2/c21-17-12-16(20-14-9-5-2-6-10-14)18(22)11-15(17)19-13-7-3-1-4-8-13/h11-14,19-20H,1-10H2
InChI Key:
XLIUAPHHAGSADZ-UHFFFAOYSA-N
SMILES:
O=C1C=C(NC2CCCCC2)C(=O)C=C1NC1CCCCC1
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.199g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.418g/mol
Monoisotopic Mass:
302.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| Synthesis, biological evaluation, and molecular docking studies of 2,5-substituted-1,4-benzoquinone as novel urease inhibitors. | Bioorganic & medicinal chemistry 20120815 |
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