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303163-41-9 | 2-Pyridinamine, 4-[4-(3-methylphenyl)-2-[4-(methylsulfonyl)phenyl]-5-thiazolyl]-N-(2-thienylmethyl)-
CAS No: 303163-41-9 Catalog No: AG002ZR5 MDL No:
Product Description
Catalog Number:
AG002ZR5
Chemical Name:
2-Pyridinamine, 4-[4-(3-methylphenyl)-2-[4-(methylsulfonyl)phenyl]-5-thiazolyl]-N-(2-thienylmethyl)-
CAS Number:
303163-41-9
Molecular Formula:
C27H23N3O2S3
Molecular Weight:
517.6854
IUPAC Name:
4-[4-(3-methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-thiazol-5-yl]-N-(thiophen-2-ylmethyl)pyridin-2-amine
InChI:
InChI=1S/C27H23N3O2S3/c1-18-5-3-6-20(15-18)25-26(21-12-13-28-24(16-21)29-17-22-7-4-14-33-22)34-27(30-25)19-8-10-23(11-9-19)35(2,31)32/h3-16H,17H2,1-2H3,(H,28,29)
InChI Key:
ZPGAUOSPMSOOES-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1nc(sc1c1ccnc(c1)NCc1cccs1)c1ccc(cc1)S(=O)(=O)C
Properties
Complexity:
783
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
517.095g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
517.68g/mol
Monoisotopic Mass:
517.095g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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