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80357-46-6 | 1,4-DIHYDRO-N,1-BIS(2,5-DIMETHOXYPHENYL)-2,6-DIMETHYL-4-OXONICOTINAMIDE
CAS No: 80357-46-6 Catalog No: AG005BHE MDL No:
Product Description
Catalog Number:
AG005BHE
Chemical Name:
1,4-DIHYDRO-N,1-BIS(2,5-DIMETHOXYPHENYL)-2,6-DIMETHYL-4-OXONICOTINAMIDE
CAS Number:
80357-46-6
Molecular Formula:
C24H26N2O6
Molecular Weight:
438.4730
IUPAC Name:
N,1-bis(2,5-dimethoxyphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide
InChI:
InChI=1S/C24H26N2O6/c1-14-11-20(27)23(24(28)25-18-12-16(29-3)7-9-21(18)31-5)15(2)26(14)19-13-17(30-4)8-10-22(19)32-6/h7-13H,1-6H3,(H,25,28)
InChI Key:
AWRIZEHFKOYTEE-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)NC(=O)c1c(=O)cc(n(c1C)c1cc(OC)ccc1OC)C)OC
Properties
Complexity:
764
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
438.179g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
438.48g/mol
Monoisotopic Mass:
438.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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