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114227-57-5 | 4(1H)-Pyridinone, 3-chloro-1-(3,5-dimethoxyphenyl)-2,6-diphenyl-
CAS No: 114227-57-5 Catalog No: AG000AW9 MDL No:
Product Description
Catalog Number:
AG000AW9
Chemical Name:
4(1H)-Pyridinone, 3-chloro-1-(3,5-dimethoxyphenyl)-2,6-diphenyl-
CAS Number:
114227-57-5
Molecular Formula:
C25H20ClNO3
Molecular Weight:
417.8842
IUPAC Name:
3-chloro-1-(3,5-dimethoxyphenyl)-2,6-diphenylpyridin-4-one
InChI:
InChI=1S/C25H20ClNO3/c1-29-20-13-19(14-21(15-20)30-2)27-22(17-9-5-3-6-10-17)16-23(28)24(26)25(27)18-11-7-4-8-12-18/h3-16H,1-2H3
InChI Key:
AURIIWYKOCANEF-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)n1c(cc(=O)c(c1c1ccccc1)Cl)c1ccccc1
Properties
Complexity:
664
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.113g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
417.889g/mol
Monoisotopic Mass:
417.113g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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