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832077-62-0 | Pyridine, 2-[2-[(6-phenylhexyl)sulfinyl]-5-oxazolyl]-
CAS No: 832077-62-0 Catalog No: AG005976 MDL No:
Product Description
Catalog Number:
AG005976
Chemical Name:
Pyridine, 2-[2-[(6-phenylhexyl)sulfinyl]-5-oxazolyl]-
CAS Number:
832077-62-0
Molecular Formula:
C20H22N2O2S
Molecular Weight:
354.4659
IUPAC Name:
2-(6-phenylhexylsulfinyl)-5-pyridin-2-yl-1,3-oxazole
InChI:
InChI=1S/C20H22N2O2S/c23-25(15-9-2-1-4-10-17-11-5-3-6-12-17)20-22-16-19(24-20)18-13-7-8-14-21-18/h3,5-8,11-14,16H,1-2,4,9-10,15H2
InChI Key:
GDMQOSJIGVIUJW-UHFFFAOYSA-N
SMILES:
O=S(c1ncc(o1)c1ccccn1)CCCCCCc1ccccc1
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.14g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.468g/mol
Monoisotopic Mass:
354.14g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| Heterocyclic sulfoxide and sulfone inhibitors of fatty acid amide hydrolase. | Bioorganic & medicinal chemistry letters 20050103 |
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