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Home > Pyridines > 181821-99-8
181821-99-8 | 3-Pyridinecarboxamide, 2-[[(2,4-dimethoxyphenyl)methyl]sulfinyl]-N-(2,6-dimethyl-4-pyridinyl)-
CAS No: 181821-99-8 Catalog No: AG00234U MDL No:
Product Description
Catalog Number:
AG00234U
Chemical Name:
3-Pyridinecarboxamide, 2-[[(2,4-dimethoxyphenyl)methyl]sulfinyl]-N-(2,6-dimethyl-4-pyridinyl)-
CAS Number:
181821-99-8
Molecular Formula:
C22H23N3O4S
Molecular Weight:
425.5007
IUPAC Name:
2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-(2,6-dimethylpyridin-4-yl)pyridine-3-carboxamide
InChI:
InChI=1S/C22H23N3O4S/c1-14-10-17(11-15(2)24-14)25-21(26)19-6-5-9-23-22(19)30(27)13-16-7-8-18(28-3)12-20(16)29-4/h5-12H,13H2,1-4H3,(H,24,25,26)
InChI Key:
PKZCOQYQGMAVLN-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1CS(=O)c1ncccc1C(=O)Nc1cc(C)nc(c1)C
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.141g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
425.503g/mol
Monoisotopic Mass:
425.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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