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Home > Pyridines > 303163-42-0
303163-42-0 | Pyridine, 4-[4-(3-methylphenyl)-2-[4-(methylsulfonyl)phenyl]-5-thiazolyl]-2-(phenylthio)-
CAS No: 303163-42-0 Catalog No: AG002ZR4 MDL No:
Product Description
Catalog Number:
AG002ZR4
Chemical Name:
Pyridine, 4-[4-(3-methylphenyl)-2-[4-(methylsulfonyl)phenyl]-5-thiazolyl]-2-(phenylthio)-
CAS Number:
303163-42-0
Molecular Formula:
C28H22N2O2S3
Molecular Weight:
514.6815
IUPAC Name:
4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-5-(2-phenylsulfanylpyridin-4-yl)-1,3-thiazole
InChI:
InChI=1S/C28H22N2O2S3/c1-19-7-6-8-21(17-19)26-27(22-15-16-29-25(18-22)33-23-9-4-3-5-10-23)34-28(30-26)20-11-13-24(14-12-20)35(2,31)32/h3-18H,1-2H3
InChI Key:
YWOSSOZENWNVRV-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1nc(sc1c1ccnc(c1)Sc1ccccc1)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
774
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
514.084g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
514.676g/mol
Monoisotopic Mass:
514.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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