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76351-94-5 | Benzamide,4-amino-5-bromo-N-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]-2-methoxy-,exo- (9CI)
CAS No: 76351-94-5 Catalog No: AG005DYY MDL No:
Product Description
Catalog Number:
AG005DYY
Chemical Name:
Benzamide,4-amino-5-bromo-N-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl]-2-methoxy-,exo- (9CI)
CAS Number:
76351-94-5
Molecular Formula:
C22H25BrClN3O2
Molecular Weight:
478.8098
IUPAC Name:
4-amino-5-bromo-N-[8-[(3-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
InChI:
InChI=1S/C22H25BrClN3O2/c1-29-21-11-20(25)19(23)10-18(21)22(28)26-15-8-16-5-6-17(9-15)27(16)12-13-3-2-4-14(24)7-13/h2-4,7,10-11,15-17H,5-6,8-9,12,25H2,1H3,(H,26,28)
InChI Key:
ILVPVUJFYLGKJO-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1C(=O)NC1CC2CCC(C1)N2Cc1cccc(c1)Cl)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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