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832077-68-6 | Benzoxazole, 2-[(5-phenylpentyl)sulfinyl]-
CAS No: 832077-68-6 Catalog No: AG004VF9 MDL No:
Product Description
Catalog Number:
AG004VF9
Chemical Name:
Benzoxazole, 2-[(5-phenylpentyl)sulfinyl]-
CAS Number:
832077-68-6
Molecular Formula:
C18H19NO2S
Molecular Weight:
313.4140
IUPAC Name:
2-(5-phenylpentylsulfinyl)-1,3-benzoxazole
InChI:
InChI=1S/C18H19NO2S/c20-22(18-19-16-12-6-7-13-17(16)21-18)14-8-2-5-11-15-9-3-1-4-10-15/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14H2
InChI Key:
VDZILLNTQBLZTK-UHFFFAOYSA-N
SMILES:
O=S(c1nc2c(o1)cccc2)CCCCCc1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.415g/mol
Monoisotopic Mass:
313.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Heterocyclic sulfoxide and sulfone inhibitors of fatty acid amide hydrolase. | Bioorganic & medicinal chemistry letters 20050103 |
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