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Home > Other Heterocycles > 76352-22-2
76352-22-2 | Benzamide,3,5-dimethoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]oct-3-yl]-, exo- (9CI)
CAS No: 76352-22-2 Catalog No: AG005PQI MDL No:
Product Description
Catalog Number:
AG005PQI
Chemical Name:
Benzamide,3,5-dimethoxy-N-[8-(phenylmethyl)-8-azabicyclo[3.2.1]oct-3-yl]-, exo- (9CI)
CAS Number:
76352-22-2
Molecular Formula:
C23H28N2O3
Molecular Weight:
380.4800
IUPAC Name:
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide
InChI:
InChI=1S/C23H28N2O3/c1-27-21-10-17(11-22(14-21)28-2)23(26)24-18-12-19-8-9-20(13-18)25(19)15-16-6-4-3-5-7-16/h3-7,10-11,14,18-20H,8-9,12-13,15H2,1-2H3,(H,24,26)
InChI Key:
YGGDPTCULZSGLU-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)C(=O)NC1CC2CCC(C1)N2Cc1ccccc1
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
380.21g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
380.488g/mol
Monoisotopic Mass:
380.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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