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832077-56-2 | Pyridine, 2-[2-[(6-phenylhexyl)thio]-5-oxazolyl]-
CAS No: 832077-56-2 Catalog No: AG008J9H MDL No:
Product Description
Catalog Number:
AG008J9H
Chemical Name:
Pyridine, 2-[2-[(6-phenylhexyl)thio]-5-oxazolyl]-
CAS Number:
832077-56-2
Molecular Formula:
C20H22N2OS
Molecular Weight:
338.4665
IUPAC Name:
2-(6-phenylhexylsulfanyl)-5-pyridin-2-yl-1,3-oxazole
InChI:
InChI=1S/C20H22N2OS/c1(4-10-17-11-5-3-6-12-17)2-9-15-24-20-22-16-19(23-20)18-13-7-8-14-21-18/h3,5-8,11-14,16H,1-2,4,9-10,15H2
InChI Key:
CJDVPGAHJKRTLK-UHFFFAOYSA-N
SMILES:
C(CCSc1ncc(o1)c1ccccn1)CCCc1ccccc1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.145g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.469g/mol
Monoisotopic Mass:
338.145g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
Literature
| Title | Journal |
|---|---|
| Heterocyclic sulfoxide and sulfone inhibitors of fatty acid amide hydrolase. | Bioorganic & medicinal chemistry letters 20050103 |
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