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129184-48-1 | Methanone, [2-[[8-(dimethylamino)octyl]thio]-6-(1-methylethyl)-3-pyridinyl]-2-thienyl-
CAS No: 129184-48-1 Catalog No: AG000YX8 MDL No:
Product Description
Catalog Number:
AG000YX8
Chemical Name:
Methanone, [2-[[8-(dimethylamino)octyl]thio]-6-(1-methylethyl)-3-pyridinyl]-2-thienyl-
CAS Number:
129184-48-1
Molecular Formula:
C23H34N2OS2
Molecular Weight:
418.6589
IUPAC Name:
[2-[8-(dimethylamino)octylsulfanyl]-6-propan-2-ylpyridin-3-yl]-thiophen-2-ylmethanone
InChI:
InChI=1S/C23H34N2OS2/c1-18(2)20-14-13-19(22(26)21-12-11-17-27-21)23(24-20)28-16-10-8-6-5-7-9-15-25(3)4/h11-14,17-18H,5-10,15-16H2,1-4H3
InChI Key:
HAGHKJDWBDSFKC-UHFFFAOYSA-N
SMILES:
CN(CCCCCCCCSc1nc(ccc1C(=O)c1cccs1)C(C)C)C
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.211g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.658g/mol
Monoisotopic Mass:
418.211g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
Literature
| Title | Journal |
|---|---|
| Inhibitors of prolyl oligopeptidases for the therapy of human diseases: defining diseases and inhibitors. | Journal of medicinal chemistry 20100513 |
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