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832077-67-5 | Benzoxazole, 2-[(5-phenylpentyl)thio]-
CAS No: 832077-67-5 Catalog No: AG004ZZE MDL No:
Product Description
Catalog Number:
AG004ZZE
Chemical Name:
Benzoxazole, 2-[(5-phenylpentyl)thio]-
CAS Number:
832077-67-5
Molecular Formula:
C18H19NOS
Molecular Weight:
297.4146
IUPAC Name:
2-(5-phenylpentylsulfanyl)-1,3-benzoxazole
InChI:
InChI=1S/C18H19NOS/c1-3-9-15(10-4-1)11-5-2-8-14-21-18-19-16-12-6-7-13-17(16)20-18/h1,3-4,6-7,9-10,12-13H,2,5,8,11,14H2
InChI Key:
BTPBEDPWXBHGDT-UHFFFAOYSA-N
SMILES:
C(CCc1ccccc1)CCSc1nc2c(o1)cccc2
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.119g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.416g/mol
Monoisotopic Mass:
297.119g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Literature
| Title | Journal |
|---|---|
| Heterocyclic sulfoxide and sulfone inhibitors of fatty acid amide hydrolase. | Bioorganic & medicinal chemistry letters 20050103 |
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