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706804-33-3 | 1H-Azepine, hexahydro-1-[[3-methyl-4-(1-methylethyl)-5-oxo-2(5H)-isoxazolyl]carbonyl]- (9CI)
CAS No: 706804-33-3 Catalog No: AG00FR32 MDL No:
Product Description
Catalog Number:
AG00FR32
Chemical Name:
1H-Azepine, hexahydro-1-[[3-methyl-4-(1-methylethyl)-5-oxo-2(5H)-isoxazolyl]carbonyl]- (9CI)
CAS Number:
706804-33-3
IUPAC Name:
2-(azepane-1-carbonyl)-3-methyl-4-propan-2-yl-1,2-oxazol-5-one
InChI:
InChI=1S/C14H22N2O3/c1-10(2)12-11(3)16(19-13(12)17)14(18)15-8-6-4-5-7-9-15/h10H,4-9H2,1-3H3
InChI Key:
QBEOUWADPJEABY-UHFFFAOYSA-N
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.341g/mol
Monoisotopic Mass:
266.163g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Combining ligand-based pharmacophore modeling, quantitative structure-activity relationship analysis and in silico screening for the discovery of new potent hormone sensitive lipase inhibitors. | Journal of medicinal chemistry 20081023 |
| In vitro SAR of (5-(2H)-isoxazolonyl) ureas, potent inhibitors of hormone-sensitive lipase. | Bioorganic & medicinal chemistry letters 20040621 |
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