CID 26354923
PubChem CID
26354923
Structure
Molecular Formula
Status
Non-live
Molecular Weight
446.6 g/mol
Dates
- Create:2009-05-28
Chemical Structure Depiction
(2R)-N-[2-(1H-indol-3-yl)ethyl]-6-[(4-propan-2-yloxyphenyl)methyl]-6-azoniaspiro[2.5]octane-2-carboxamide
InChI=1S/C28H35N3O2/c1-20(2)33-23-9-7-21(8-10-23)19-31-15-12-28(13-16-31)17-25(28)27(32)29-14-11-22-18-30-26-6-4-3-5-24(22)26/h3-10,18,20,25,30H,11-17,19H2,1-2H3,(H,29,32)/p+1/t25-/m0/s1
XLRCJTGNMAOWMD-VWLOTQADSA-O
CC(C)OC1=CC=C(C=C1)C[NH+]2CCC3(CC2)C[C@H]3C(=O)NCCC4=CNC5=CC=CC=C54
C28H36N3O2+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
446.6 g/mol
Property Name
XLogP3-AA
Property Value
4.6
Property Name
Hydrogen Bond Donor Count
Property Value
3
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
8
Property Name
Exact Mass
Property Value
446.28075240 g/mol
Property Name
Monoisotopic Mass
Property Value
446.28075240 g/mol
Property Name
Topological Polar Surface Area
Property Value
58.6 A^2
Property Name
Heavy Atom Count
Property Value
33
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
652
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS