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Home > Pyridines > 478247-80-2
478247-80-2 | 3-benzyl-1-cyclooctyl-4-hydroxy-1,2-dihydropyridin-2-one
CAS No: 478247-80-2 Catalog No: AG00ISXH MDL No:MFCD02082536
Product Description
Catalog Number:
AG00ISXH
Chemical Name:
3-benzyl-1-cyclooctyl-4-hydroxy-1,2-dihydropyridin-2-one
CAS Number:
478247-80-2
Molecular Formula:
C20H25NO2
Molecular Weight:
311.4180
MDL Number:
MFCD02082536
IUPAC Name:
3-benzyl-1-cyclooctyl-4-hydroxypyridin-2-one
InChI:
InChI=1S/C20H25NO2/c22-19-13-14-21(17-11-7-2-1-3-8-12-17)20(23)18(19)15-16-9-5-4-6-10-16/h4-6,9-10,13-14,17,22H,1-3,7-8,11-12,15H2
InChI Key:
XYTOUBQPLURFEE-UHFFFAOYSA-N
SMILES:
Oc1ccn(c(=O)c1Cc1ccccc1)C1CCCCCCC1
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.189g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
311.425g/mol
Monoisotopic Mass:
311.189g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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