ChemSpider 2D Image | 1-{1,3-Dioxo-2-[3-(trifluoromethyl)benzyl]-2,3-dihydro-1H-isoindol-4-yl}-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-4-piperidinecarboxamide | C32H30F3N5O3

1-{1,3-Dioxo-2-[3-(trifluoromethyl)benzyl]-2,3-dihydro-1H-isoindol-4-yl}-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-4-piperidinecarboxamide

  • Molecular FormulaC32H30F3N5O3
  • Average mass589.607 Da
  • Monoisotopic mass589.230103 Da
  • ChemSpider ID22232597

More details:

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

1-{1,3-Dioxo-2-[3-(trifluormethyl)benzyl]-2,3-dihydro-1H-isoindol-4-yl}-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-{1,3-Dioxo-2-[3-(trifluoromethyl)benzyl]-2,3-dihydro-1H-isoindol-4-yl}-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
1-{1,3-Dioxo-2-[3-(trifluorométhyl)benzyl]-2,3-dihydro-1H-isoindol-4-yl}-N-[2-(1-méthyl-1H-benzimidazol-2-yl)éthyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[2,3-dihydro-1,3-dioxo-2-[[3-(trifluoromethyl)phenyl]methyl]-1H-isoindol-4-yl]-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 793.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 433.5±32.9 °C
Index of Refraction: 1.656
Molar Refractivity: 155.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 1874.58
ACD/KOC (pH 5.5): 6215.33
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3861.25
ACD/KOC (pH 7.4): 12802.32
Polar Surface Area: 88 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 50.8±7.0 dyne/cm
Molar Volume: 422.4±7.0 cm3

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