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84163-07-5 | 6-Methoxy-3-[4-(N-benzyloxycarbonyl)piperidinyl]-1,2-benzisoxazole
CAS No: 84163-07-5 Catalog No: AG00G51E MDL No:
Product Description
Catalog Number:
AG00G51E
Chemical Name:
6-Methoxy-3-[4-(N-benzyloxycarbonyl)piperidinyl]-1,2-benzisoxazole
CAS Number:
84163-07-5
IUPAC Name:
benzyl 4-(6-methoxy-1,2-benzoxazol-3-yl)piperidine-1-carboxylate
InChI:
InChI=1S/C21H22N2O4/c1-25-17-7-8-18-19(13-17)27-22-20(18)16-9-11-23(12-10-16)21(24)26-14-15-5-3-2-4-6-15/h2-8,13,16H,9-12,14H2,1H3
InChI Key:
NHMMJHHJXWPHHV-UHFFFAOYSA-N
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.158g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.417g/mol
Monoisotopic Mass:
366.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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