ChemSpider 2D Image | N-{1-[(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}quinuclidine-3-carboxamide | C31H45N3O3S

N-{1-[(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}quinuclidine-3-carboxamide

  • Molecular FormulaC31H45N3O3S
  • Average mass539.772 Da
  • Monoisotopic mass539.318176 Da
  • ChemSpider ID23121000

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Azabicyclo[2.2.2]octane-3-carboxamide, N-[1-[[(2,3-dihydrospiro[1H-indene-1,4'-piperidin]-1'-yl)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl]- [ACD/Index Name]
N-{1-[(2,3-dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}-1-azabicyclo[2.2.2]octane-3-carboxamide
N-{1-[(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}chinuclidin-3-carboxamid [German] [ACD/IUPAC Name]
N-{1-[(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl}quinuclidine-3-carboxamide [ACD/IUPAC Name]
N-{1-[(2,3-Dihydro-1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)méthyl]-7,7-diméthylbicyclo[2.2.1]hept-2-yl}quinuclidine-3-carboxamide [French] [ACD/IUPAC Name]
2N-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethylbicyclo[2.2.1]hept-2-yl]-4-azabicyclo[2.2.2]octane-2-carboxamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL283746/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.629
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.30
ACD/LogD (pH 5.5): 1.82
ACD/BCF (pH 5.5): 2.67
ACD/KOC (pH 5.5): 9.77
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 38.65
ACD/KOC (pH 7.4): 141.23
Polar Surface Area: 78 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 423.4±5.0 cm3

Click to predict properties on the Chemicalize site


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