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303163-04-4 | 2-Pyridinamine, 4-[4-(3-methylphenyl)-2-propyl-5-thiazolyl]-N-(2-phenylethyl)-
CAS No: 303163-04-4 Catalog No: AG002ZPJ MDL No:
Product Description
Catalog Number:
AG002ZPJ
Chemical Name:
2-Pyridinamine, 4-[4-(3-methylphenyl)-2-propyl-5-thiazolyl]-N-(2-phenylethyl)-
CAS Number:
303163-04-4
Molecular Formula:
C26H27N3S
Molecular Weight:
413.5777
IUPAC Name:
4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine
InChI:
InChI=1S/C26H27N3S/c1-3-8-24-29-25(21-12-7-9-19(2)17-21)26(30-24)22-14-16-28-23(18-22)27-15-13-20-10-5-4-6-11-20/h4-7,9-12,14,16-18H,3,8,13,15H2,1-2H3,(H,27,28)
InChI Key:
DNHVRKCVNFFHOF-UHFFFAOYSA-N
SMILES:
CCCc1nc(c(s1)c1ccnc(c1)NCCc1ccccc1)c1cccc(c1)C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.193g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
413.583g/mol
Monoisotopic Mass:
413.193g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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