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303163-07-7 | 2-Pyridinamine, 4-[2-butyl-4-(3-methylphenyl)-5-thiazolyl]-N-(2-phenylethyl)-
CAS No: 303163-07-7 Catalog No: AG002ZPG MDL No:
Product Description
Catalog Number:
AG002ZPG
Chemical Name:
2-Pyridinamine, 4-[2-butyl-4-(3-methylphenyl)-5-thiazolyl]-N-(2-phenylethyl)-
CAS Number:
303163-07-7
Molecular Formula:
C27H29N3S
Molecular Weight:
427.6043
IUPAC Name:
4-[2-butyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]-N-(2-phenylethyl)pyridin-2-amine
InChI:
InChI=1S/C27H29N3S/c1-3-4-13-25-30-26(22-12-8-9-20(2)18-22)27(31-25)23-15-17-29-24(19-23)28-16-14-21-10-6-5-7-11-21/h5-12,15,17-19H,3-4,13-14,16H2,1-2H3,(H,28,29)
InChI Key:
WCKYFUICHIUXND-UHFFFAOYSA-N
SMILES:
CCCCc1sc(c(n1)c1cccc(c1)C)c1ccnc(c1)NCCc1ccccc1
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.208g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
427.61g/mol
Monoisotopic Mass:
427.208g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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