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83130-55-6 | 4-amino-5-bromo-N-[8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]-2-methoxy-benzamide
CAS No: 83130-55-6 Catalog No: AG0059O8 MDL No:
Product Description
Catalog Number:
AG0059O8
Chemical Name:
4-amino-5-bromo-N-[8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]-2-methoxy-benzamide
CAS Number:
83130-55-6
Molecular Formula:
C22H25BrClN3O2
Molecular Weight:
478.8098
IUPAC Name:
4-amino-5-bromo-N-[8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
InChI:
InChI=1S/C22H25BrClN3O2/c1-29-21-11-20(25)18(23)10-17(21)22(28)26-14-8-15-6-7-16(9-14)27(15)12-13-4-2-3-5-19(13)24/h2-5,10-11,14-16H,6-9,12,25H2,1H3,(H,26,28)
InChI Key:
WTUDPXKENHNPKD-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1C(=O)NC1CC2CCC(C1)N2Cc1ccccc1Cl)Br
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.082g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
478.815g/mol
Monoisotopic Mass:
477.082g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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