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89653-81-6 | Benzamide, N-1-azabicyclo[2.2.2]oct-3-yl-3,5-dichloro-2,6-dimethoxy-
CAS No: 89653-81-6 Catalog No: AG0043ZJ MDL No:
Product Description
Catalog Number:
AG0043ZJ
Chemical Name:
Benzamide, N-1-azabicyclo[2.2.2]oct-3-yl-3,5-dichloro-2,6-dimethoxy-
CAS Number:
89653-81-6
Molecular Formula:
C16H20Cl2N2O3
Molecular Weight:
359.2476
IUPAC Name:
N-(1-azabicyclo[2.2.2]octan-3-yl)-3,5-dichloro-2,6-dimethoxybenzamide
InChI:
InChI=1S/C16H20Cl2N2O3/c1-22-14-10(17)7-11(18)15(23-2)13(14)16(21)19-12-8-20-5-3-9(12)4-6-20/h7,9,12H,3-6,8H2,1-2H3,(H,19,21)
InChI Key:
HVJADOJBFBGCID-UHFFFAOYSA-N
SMILES:
COc1c(Cl)cc(c(c1C(=O)NC1CN2CCC1CC2)OC)Cl
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.085g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.247g/mol
Monoisotopic Mass:
358.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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