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83348-48-5 | [4-[(5-ethenyl-1-azabicyclo[2.2.2]oct-7-yl)-hydroxy-methyl]quinolin-6- yl] 3-methylbutanoate
CAS No: 83348-48-5 Catalog No: AG00GP8D MDL No:
Product Description
Catalog Number:
AG00GP8D
Chemical Name:
[4-[(5-ethenyl-1-azabicyclo[2.2.2]oct-7-yl)-hydroxy-methyl]quinolin-6- yl] 3-methylbutanoate
CAS Number:
83348-48-5
IUPAC Name:
[4-[(S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-yl] 3-methylbutanoate
InChI:
InChI=1S/C24H30N2O3/c1-4-16-14-26-10-8-17(16)12-22(26)24(28)19-7-9-25-21-6-5-18(13-20(19)21)29-23(27)11-15(2)3/h4-7,9,13,15-17,22,24,28H,1,8,10-12,14H2,2-3H3/t16-,17-,22+,24-/m0/s1
InChI Key:
HBFSEHSHZJQUEN-APWLEZBQSA-N
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
394.226g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.515g/mol
Monoisotopic Mass:
394.226g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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