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Home > Quinoline > 134991-85-8
134991-85-8 | Decanamide,2-(hexylthio)-N-[6-(methylthio)-5-quinolinyl]-, (2S)-
CAS No: 134991-85-8 Catalog No: AG006ZKF MDL No:
Product Description
Catalog Number:
AG006ZKF
Chemical Name:
Decanamide,2-(hexylthio)-N-[6-(methylthio)-5-quinolinyl]-, (2S)-
CAS Number:
134991-85-8
Molecular Formula:
C26H40N2OS2
Molecular Weight:
460.7386
IUPAC Name:
(2S)-2-hexylsulfanyl-N-(6-methylsulfanylquinolin-5-yl)decanamide
InChI:
InChI=1S/C26H40N2OS2/c1-4-6-8-10-11-12-16-24(31-20-13-9-7-5-2)26(29)28-25-21-15-14-19-27-22(21)17-18-23(25)30-3/h14-15,17-19,24H,4-13,16,20H2,1-3H3,(H,28,29)/t24-/m0/s1
InChI Key:
AIEKUIKBYWMJMS-DEOSSOPVSA-N
SMILES:
CCCCCCCC[C@@H](C(=O)Nc1c(SC)ccc2c1cccn2)SCCCCCC
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
460.258g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
460.739g/mol
Monoisotopic Mass:
460.258g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
92.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.9
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