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88721-70-4 | Benzamide, 4-amino-N-1-azabicyclo[3.2.1]oct-6-yl-5-chloro-2-methoxy-
CAS No: 88721-70-4 Catalog No: AG0045CK MDL No:
Product Description
Catalog Number:
AG0045CK
Chemical Name:
Benzamide, 4-amino-N-1-azabicyclo[3.2.1]oct-6-yl-5-chloro-2-methoxy-
CAS Number:
88721-70-4
Molecular Formula:
C15H20ClN3O2
Molecular Weight:
309.7912
IUPAC Name:
4-amino-N-(1-azabicyclo[3.2.1]octan-6-yl)-5-chloro-2-methoxybenzamide
InChI:
InChI=1S/C15H20ClN3O2/c1-21-14-6-12(17)11(16)5-10(14)15(20)18-13-8-19-4-2-3-9(13)7-19/h5-6,9,13H,2-4,7-8,17H2,1H3,(H,18,20)
InChI Key:
GWLSBOAPLUTXAW-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1C(=O)NC1CN2CC1CCC2)Cl
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.124g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
309.794g/mol
Monoisotopic Mass:
309.124g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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