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602269-30-7 | 5H-Isoxazolo[5,4-b]azepine,6,7,8,8a-tetrahydro-3-[2-(1-piperidinyl)ethyl]-(9CI)
CAS No: 602269-30-7 Catalog No: AG00F7W6 MDL No:
Product Description
Catalog Number:
AG00F7W6
Chemical Name:
5H-Isoxazolo[5,4-b]azepine,6,7,8,8a-tetrahydro-3-[2-(1-piperidinyl)ethyl]-(9CI)
CAS Number:
602269-30-7
IUPAC Name:
3-(2-piperidin-1-ylethyl)-6,7,8,8a-tetrahydro-5H-[1,2]oxazolo[5,4-b]azepine
InChI:
InChI=1S/C14H23N3O/c1-4-9-17(10-5-1)11-7-13-12-6-2-3-8-15-14(12)18-16-13/h6,14-15H,1-5,7-11H2
InChI Key:
QYEIOZGTCBEVQC-UHFFFAOYSA-N
Properties
Complexity:
345
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:
3
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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