ChemSpider 2D Image | 3-[3,5-Bis(trifluoromethyl)phenyl]-N-(1-hydroxy-3,3-dimethyl-2-butanyl)-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide | C25H26F6N2O3

3-[3,5-Bis(trifluoromethyl)phenyl]-N-(1-hydroxy-3,3-dimethyl-2-butanyl)-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide

  • Molecular FormulaC25H26F6N2O3
  • Average mass516.476 Da
  • Monoisotopic mass516.184753 Da
  • ChemSpider ID8634612

More details:

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

3-[3,5-Bis(trifluormethyl)phenyl]-N-(1-hydroxy-3,3-dimethyl-2-butanyl)-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isochinolincarboxamid [German] [ACD/IUPAC Name]
3-[3,5-Bis(trifluorométhyl)phényl]-N-(1-hydroxy-3,3-diméthyl-2-butanyl)-2-méthyl-1-oxo-1,2,3,4-tétrahydro-4-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
3-[3,5-Bis(trifluoromethyl)phenyl]-N-(1-hydroxy-3,3-dimethyl-2-butanyl)-2-methyl-1-oxo-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide [ACD/IUPAC Name]
4-Isoquinolinecarboxamide, 3-[3,5-bis(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-N-[1-(hydroxymethyl)-2,2-dimethylpropyl]-2-methyl-1-oxo- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 562.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 293.9±30.1 °C
Index of Refraction: 1.512
Molar Refractivity: 118.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 736.34
ACD/KOC (pH 5.5): 3925.13
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 736.33
ACD/KOC (pH 7.4): 3925.13
Polar Surface Area: 70 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 38.1±3.0 dyne/cm
Molar Volume: 395.5±3.0 cm3

Click to predict properties on the Chemicalize site


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