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83130-60-3 | Benzamide,4-amino-5-bromo-N-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]-2-ethoxy-,exo- (9CI)
CAS No: 83130-60-3 Catalog No: AG005109 MDL No:
Product Description
Catalog Number:
AG005109
Chemical Name:
Benzamide,4-amino-5-bromo-N-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]-2-ethoxy-,exo- (9CI)
CAS Number:
83130-60-3
Molecular Formula:
C23H27BrClN3O2
Molecular Weight:
492.8364
IUPAC Name:
4-amino-5-bromo-N-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-ethoxybenzamide
InChI:
InChI=1S/C23H27BrClN3O2/c1-2-30-22-12-21(26)20(24)11-19(22)23(29)27-16-9-17-6-7-18(10-16)28(17)13-14-4-3-5-15(25)8-14/h3-5,8,11-12,16-18H,2,6-7,9-10,13,26H2,1H3,(H,27,29)
InChI Key:
BXUVSSCPUSFIMS-UHFFFAOYSA-N
SMILES:
CCOc1cc(N)c(cc1C(=O)NC1CC2CCC(C1)N2Cc1cccc(c1)Cl)Br
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.098g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
492.842g/mol
Monoisotopic Mass:
491.098g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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