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Home > Other Heterocycles > 155778-26-0
155778-26-0 | Benzamide, N-(3S)-1-azabicyclo[2.2.2]oct-3-yl-
CAS No: 155778-26-0 Catalog No: AG001O5Y MDL No:
Product Description
Catalog Number:
AG001O5Y
Chemical Name:
Benzamide, N-(3S)-1-azabicyclo[2.2.2]oct-3-yl-
CAS Number:
155778-26-0
Molecular Formula:
C14H18N2O
Molecular Weight:
230.3055
IUPAC Name:
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
InChI:
InChI=1S/C14H18N2O/c17-14(12-4-2-1-3-5-12)15-13-10-16-8-6-11(13)7-9-16/h1-5,11,13H,6-10H2,(H,15,17)/t13-/m1/s1
InChI Key:
MVKDKUUCCOPJSG-CYBMUJFWSA-N
SMILES:
O=C(c1ccccc1)N[C@@H]1CN2CCC1CC2
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
230.142g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.311g/mol
Monoisotopic Mass:
230.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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