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303163-16-8 | 2-Pyridinamine, 4-[4-(3-methylphenyl)-2-[4-(methylthio)phenyl]-5-thiazolyl]-N-(2-phenylethyl)-
CAS No: 303163-16-8 Catalog No: AG002ZQM MDL No:
Product Description
Catalog Number:
AG002ZQM
Chemical Name:
2-Pyridinamine, 4-[4-(3-methylphenyl)-2-[4-(methylthio)phenyl]-5-thiazolyl]-N-(2-phenylethyl)-
CAS Number:
303163-16-8
Molecular Formula:
C30H27N3S2
Molecular Weight:
493.6855
IUPAC Name:
4-[4-(3-methylphenyl)-2-(4-methylthiophen-2-yl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine
InChI:
InChI=1S/C28H25N3S2/c1-19-7-6-10-22(15-19)26-27(33-28(31-26)24-16-20(2)18-32-24)23-12-14-30-25(17-23)29-13-11-21-8-4-3-5-9-21/h3-10,12,14-18H,11,13H2,1-2H3,(H,29,30)
InChI Key:
ODFNHADYHWGUOK-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1sc(c(n1)c1cccc(c1)C)c1ccnc(c1)NCCc1ccccc1
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.149g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
467.649g/mol
Monoisotopic Mass:
467.149g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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