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131168-00-8 | Benzamide, 4-amino-N-1-azabicyclo[2.2.2]oct-3-yl-5-iodo-2-methoxy-
CAS No: 131168-00-8 Catalog No: AG000VMK MDL No:
Product Description
Catalog Number:
AG000VMK
Chemical Name:
Benzamide, 4-amino-N-1-azabicyclo[2.2.2]oct-3-yl-5-iodo-2-methoxy-
CAS Number:
131168-00-8
Molecular Formula:
C15H20IN3O2
Molecular Weight:
401.2427
IUPAC Name:
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-5-iodo-2-methoxybenzamide
InChI:
InChI=1S/C15H20IN3O2/c1-21-14-7-12(17)11(16)6-10(14)15(20)18-13-8-19-4-2-9(13)3-5-19/h6-7,9,13H,2-5,8,17H2,1H3,(H,18,20)
InChI Key:
FZPKLJVFRJJYHW-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1C(=O)NC1CN2CCC1CC2)I
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
401.06g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
401.248g/mol
Monoisotopic Mass:
401.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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