ChemSpider 2D Image | 2,3-Bis(4-methoxyphenyl)-1-oxo-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide | C31H25F3N2O4

2,3-Bis(4-methoxyphenyl)-1-oxo-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide

  • Molecular FormulaC31H25F3N2O4
  • Average mass546.536 Da
  • Monoisotopic mass546.176636 Da
  • ChemSpider ID20223765

More details:






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

2,3-Bis(4-methoxyphenyl)-1-oxo-N-[3-(trifluormethyl)phenyl]-1,2,3,4-tetrahydro-4-isochinolincarboxamid [German] [ACD/IUPAC Name]
2,3-Bis(4-méthoxyphényl)-1-oxo-N-[3-(trifluorométhyl)phényl]-1,2,3,4-tétrahydro-4-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
2,3-Bis(4-methoxyphenyl)-1-oxo-N-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-4-isoquinolinecarboxamide [ACD/IUPAC Name]
4-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-2,3-bis(4-methoxyphenyl)-1-oxo-N-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 704.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 379.7±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 143.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 6.11
ACD/BCF (pH 5.5): 26040.36
ACD/KOC (pH 5.5): 50385.47
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 26040.33
ACD/KOC (pH 7.4): 50385.41
Polar Surface Area: 68 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 412.3±3.0 cm3

Click to predict properties on the Chemicalize site






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