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89517-88-4 | 2,6(1H,3H)-Pyridinedione, 4-methyl-1-[2-[(phenylmethyl)thio]phenyl]-
CAS No: 89517-88-4 Catalog No: AG0040VP MDL No:
Product Description
Catalog Number:
AG0040VP
Chemical Name:
2,6(1H,3H)-Pyridinedione, 4-methyl-1-[2-[(phenylmethyl)thio]phenyl]-
CAS Number:
89517-88-4
Molecular Formula:
C19H17NO2S
Molecular Weight:
323.4088
IUPAC Name:
1-(2-benzylsulfanylphenyl)-4-methyl-3H-pyridine-2,6-dione
InChI:
InChI=1S/C19H17NO2S/c1-14-11-18(21)20(19(22)12-14)16-9-5-6-10-17(16)23-13-15-7-3-2-4-8-15/h2-11H,12-13H2,1H3
InChI Key:
ZOLLHCBVAHANHC-UHFFFAOYSA-N
SMILES:
CC1=CC(=O)N(C(=O)C1)c1ccccc1SCc1ccccc1
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.098g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.41g/mol
Monoisotopic Mass:
323.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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