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189820-13-1 | Pyrimidine, 2-[5-(4-decylphenyl)-2-thiazolyl]-5-octyl-
CAS No: 189820-13-1 Catalog No: AG002E07 MDL No:
Product Description
Catalog Number:
AG002E07
Chemical Name:
Pyrimidine, 2-[5-(4-decylphenyl)-2-thiazolyl]-5-octyl-
CAS Number:
189820-13-1
Molecular Formula:
C31H45N3S
Molecular Weight:
491.7741
IUPAC Name:
5-(4-decylphenyl)-2-(5-octylpyrimidin-2-yl)-1,3-thiazole
InChI:
InChI=1S/C31H45N3S/c1-3-5-7-9-11-12-14-15-17-26-19-21-28(22-20-26)29-25-34-31(35-29)30-32-23-27(24-33-30)18-16-13-10-8-6-4-2/h19-25H,3-18H2,1-2H3
InChI Key:
WAFCYDAIVYHFEF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1ccc(cc1)c1cnc(s1)c1ncc(cn1)CCCCCCCC
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.333g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
491.782g/mol
Monoisotopic Mass:
491.333g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11.8
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