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303163-05-5 | 2-Pyridinamine, 4-[4-(3-methylphenyl)-2-propyl-5-thiazolyl]-N-(3-phenylpropyl)-
CAS No: 303163-05-5 Catalog No: AG002ZPI MDL No:
Product Description
Catalog Number:
AG002ZPI
Chemical Name:
2-Pyridinamine, 4-[4-(3-methylphenyl)-2-propyl-5-thiazolyl]-N-(3-phenylpropyl)-
CAS Number:
303163-05-5
Molecular Formula:
C27H29N3S
Molecular Weight:
427.6043
IUPAC Name:
4-[4-(3-methylphenyl)-2-propyl-1,3-thiazol-5-yl]-N-(3-phenylpropyl)pyridin-2-amine
InChI:
InChI=1S/C27H29N3S/c1-3-9-25-30-26(22-14-7-10-20(2)18-22)27(31-25)23-15-17-29-24(19-23)28-16-8-13-21-11-5-4-6-12-21/h4-7,10-12,14-15,17-19H,3,8-9,13,16H2,1-2H3,(H,28,29)
InChI Key:
KVEWTWVMAGNFJU-UHFFFAOYSA-N
SMILES:
CCCc1nc(c(s1)c1ccnc(c1)NCCCc1ccccc1)c1cccc(c1)C
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:
7.4
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