ChemSpider 2D Image | N-({(1S,2R,4R)-2-Hydroxy-7,7-dimethyl-1-[(1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]bicyclo[2.2.1]hept-2-yl}methyl)quinuclidine-3-carboxamide | C32H45N3O4S

N-({(1S,2R,4R)-2-Hydroxy-7,7-dimethyl-1-[(1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]bicyclo[2.2.1]hept-2-yl}methyl)quinuclidine-3-carboxamide

  • Molecular FormulaC32H45N3O4S
  • Average mass567.782 Da
  • Monoisotopic mass567.313049 Da
  • ChemSpider ID23208903

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-Azabicyclo[2.2.2]octane-3-carboxamide, N-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-[(spiro[1H-indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]bicyclo[2.2.1]hept-2-yl]methyl]- [ACD/Index Name]
N-({(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-[(1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]bicyclo[2.2.1]hept-2-yl}methyl)-1-azabicyclo[2.2.2]octane-3-carboxamide
N-({(1S,2R,4R)-2-Hydroxy-7,7-dimethyl-1-[(1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]bicyclo[2.2.1]hept-2-yl}methyl)chinuclidin-3-carboxamid [German] [ACD/IUPAC Name]
N-({(1S,2R,4R)-2-Hydroxy-7,7-dimethyl-1-[(1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)methyl]bicyclo[2.2.1]hept-2-yl}methyl)quinuclidine-3-carboxamide [ACD/IUPAC Name]
N-({(1S,2R,4R)-2-Hydroxy-7,7-diméthyl-1-[(1'H-spiro[indene-1,4'-piperidin]-1'-ylsulfonyl)méthyl]bicyclo[2.2.1]hept-2-yl}méthyl)quinuclidine-3-carboxamide [French] [ACD/IUPAC Name]
2N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4'-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-4-azabicyclo[2.2.2]octane-2-carboxamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL338118/

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: 1.649
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.33
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 5.18
ACD/KOC (pH 7.4): 33.37
Polar Surface Area: 98 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 429.8±5.0 cm3

Click to predict properties on the Chemicalize site


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