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Home > Pyridines > 1017601-65-8
1017601-65-8 | 4(1H)-Pyridinone, 5,6-dihydro-1-(phenylmethyl)-3-(3,4,5-trimethoxyphenyl)-
CAS No: 1017601-65-8 Catalog No: AG0005F3 MDL No:
Product Description
Catalog Number:
AG0005F3
Chemical Name:
4(1H)-Pyridinone, 5,6-dihydro-1-(phenylmethyl)-3-(3,4,5-trimethoxyphenyl)-
CAS Number:
1017601-65-8
Molecular Formula:
C21H23NO4
Molecular Weight:
353.4116
IUPAC Name:
1-benzyl-5-(3,4,5-trimethoxyphenyl)-2,3-dihydropyridin-4-one
InChI:
InChI=1S/C21H23NO4/c1-24-19-11-16(12-20(25-2)21(19)26-3)17-14-22(10-9-18(17)23)13-15-7-5-4-6-8-15/h4-8,11-12,14H,9-10,13H2,1-3H3
InChI Key:
FLTAZXQUOLULAZ-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C1=CN(CCC1=O)Cc1ccccc1
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
353.163g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.418g/mol
Monoisotopic Mass:
353.163g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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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