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603066-95-1 | 5H-Isoxazolo[5,4-b]azepine,3-(1-ethyl-4-piperidinyl)-6,7,8,8a-tetrahydro-(9CI)
CAS No: 603066-95-1 Catalog No: AG00F7UI MDL No:
Product Description
Catalog Number:
AG00F7UI
Chemical Name:
5H-Isoxazolo[5,4-b]azepine,3-(1-ethyl-4-piperidinyl)-6,7,8,8a-tetrahydro-(9CI)
CAS Number:
603066-95-1
IUPAC Name:
3-(1-ethylpiperidin-4-yl)-6,7,8,8a-tetrahydro-5H-[1,2]oxazolo[5,4-b]azepine
InChI:
InChI=1S/C14H23N3O/c1-2-17-9-6-11(7-10-17)13-12-5-3-4-8-15-14(12)18-16-13/h5,11,14-15H,2-4,6-10H2,1H3
InChI Key:
HLBHHROWQDEZGV-UHFFFAOYSA-N
Properties
Complexity:
356
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.184g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.358g/mol
Monoisotopic Mass:
249.184g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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