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87964-79-2 | Benzamide,N-[(3-exo)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]non-3-yl]-2,3-dimethoxy-
CAS No: 87964-79-2 Catalog No: AG004D41 MDL No:
Product Description
Catalog Number:
AG004D41
Chemical Name:
Benzamide,N-[(3-exo)-9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]non-3-yl]-2,3-dimethoxy-
CAS Number:
87964-79-2
Molecular Formula:
C24H29FN2O3
Molecular Weight:
412.4971
IUPAC Name:
N-[9-[(4-fluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-yl]-2,3-dimethoxybenzamide
InChI:
InChI=1S/C24H29FN2O3/c1-29-22-8-4-7-21(23(22)30-2)24(28)26-18-13-19-5-3-6-20(14-18)27(19)15-16-9-11-17(25)12-10-16/h4,7-12,18-20H,3,5-6,13-15H2,1-2H3,(H,26,28)
InChI Key:
VGOAURMKLDUSEO-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OC)C(=O)NC1CC2CCCC(C1)N2Cc1ccc(cc1)F
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.216g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
412.505g/mol
Monoisotopic Mass:
412.216g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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