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303163-43-1 | Pyridine, 4-[4-(3-methylphenyl)-2-[4-(methylsulfonyl)phenyl]-5-thiazolyl]-2-[(phenylmethyl)thio]-
CAS No: 303163-43-1 Catalog No: AG002ZR3 MDL No:
Product Description
Catalog Number:
AG002ZR3
Chemical Name:
Pyridine, 4-[4-(3-methylphenyl)-2-[4-(methylsulfonyl)phenyl]-5-thiazolyl]-2-[(phenylmethyl)thio]-
CAS Number:
303163-43-1
Molecular Formula:
C29H24N2O2S3
Molecular Weight:
528.7081
IUPAC Name:
5-(2-benzylsulfanylpyridin-4-yl)-4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazole
InChI:
InChI=1S/C29H24N2O2S3/c1-20-7-6-10-23(17-20)27-28(35-29(31-27)22-11-13-25(14-12-22)36(2,32)33)24-15-16-30-26(18-24)34-19-21-8-4-3-5-9-21/h3-18H,19H2,1-2H3
InChI Key:
DEHYJQQEVMOBML-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1nc(sc1c1ccnc(c1)SCc1ccccc1)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
789
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
528.1g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
528.703g/mol
Monoisotopic Mass:
528.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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