ChemSpider 2D Image | 1-Azabicyclo[2.2.2]oct-3-yl (1S,4R)-4-hydroxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate | C23H26N2O3

1-Azabicyclo[2.2.2]oct-3-yl (1S,4R)-4-hydroxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate

  • Molecular FormulaC23H26N2O3
  • Average mass378.464 Da
  • Monoisotopic mass378.194336 Da
  • ChemSpider ID35031852

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S,4R)-4-Hydroxy-1-phényl-3,4-dihydro-2(1H)-isoquinoléinecarboxylate de 1-azabicyclo[2.2.2]oct-3-yle [French] [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]oct-3-yl (1S,4R)-4-hydroxy-1-phenyl-3,4-dihydro-2(1H)-isoquinolinecarboxylate [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]oct-3-yl-(1S,4R)-4-hydroxy-1-phenyl-3,4-dihydro-2(1H)-isochinolincarboxylat [German] [ACD/IUPAC Name]
2(1H)-Isoquinolinecarboxylic acid, 3,4-dihydro-4-hydroxy-1-phenyl-, 1-azabicyclo[2.2.2]oct-3-yl ester, (1S,4R)- [ACD/Index Name]
1-azabicyclo[2.2.2]octan-3-yl (1S,4R)-4-hydroxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
1-azabicyclo[2.2.2]octan-3-yl (1S,4R)-4-hydroxy-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
4R-Hydroxy solifenacin

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 552.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 287.6±30.1 °C
Index of Refraction: 1.667
Molar Refractivity: 107.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 0.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.09
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 2.80
ACD/KOC (pH 7.4): 26.14
Polar Surface Area: 53 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 288.5±5.0 cm3

Click to predict properties on the Chemicalize site


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