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355384-80-4 | [1,1'-Biphenyl]-3-carboxamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-
CAS No: 355384-80-4 Catalog No: AG007AOQ MDL No:
Product Description
Catalog Number:
AG007AOQ
Chemical Name:
[1,1'-Biphenyl]-3-carboxamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-
CAS Number:
355384-80-4
Molecular Formula:
C20H22N2O
Molecular Weight:
306.4015
IUPAC Name:
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-3-phenylbenzamide
InChI:
InChI=1S/C20H22N2O/c23-20(21-19-14-22-11-9-16(19)10-12-22)18-8-4-7-17(13-18)15-5-2-1-3-6-15/h1-8,13,16,19H,9-12,14H2,(H,21,23)/t19-/m0/s1
InChI Key:
MQDUBMOSAYRTMJ-IBGZPJMESA-N
SMILES:
O=C(c1cccc(c1)c1ccccc1)N[C@H]1CN2CCC1CC2
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
306.173g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.409g/mol
Monoisotopic Mass:
306.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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