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303163-06-6 | 2-Pyridinamine, 4-[2-butyl-4-(3-methylphenyl)-5-thiazolyl]-N-(phenylmethyl)-
CAS No: 303163-06-6 Catalog No: AG002ZPH MDL No:
Product Description
Catalog Number:
AG002ZPH
Chemical Name:
2-Pyridinamine, 4-[2-butyl-4-(3-methylphenyl)-5-thiazolyl]-N-(phenylmethyl)-
CAS Number:
303163-06-6
Molecular Formula:
C26H27N3S
Molecular Weight:
413.5777
IUPAC Name:
N-benzyl-4-[2-butyl-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-amine
InChI:
InChI=1S/C26H27N3S/c1-3-4-13-24-29-25(21-12-8-9-19(2)16-21)26(30-24)22-14-15-27-23(17-22)28-18-20-10-6-5-7-11-20/h5-12,14-17H,3-4,13,18H2,1-2H3,(H,27,28)
InChI Key:
BIGHKLGDJKYCEO-UHFFFAOYSA-N
SMILES:
CCCCc1sc(c(n1)c1cccc(c1)C)c1ccnc(c1)NCc1ccccc1
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:
7.1
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