ChemSpider 2D Image | N-[3,5-Bis(trifluoromethyl)benzyl]-2-{2-[(cyclohexylmethyl)amino]ethyl}-1-isoindolinecarboxamide | C27H31F6N3O

N-[3,5-Bis(trifluoromethyl)benzyl]-2-{2-[(cyclohexylmethyl)amino]ethyl}-1-isoindolinecarboxamide

  • Molecular FormulaC27H31F6N3O
  • Average mass527.545 Da
  • Monoisotopic mass527.237122 Da
  • ChemSpider ID8159971

More details:

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

1H-Isoindole-1-carboxamide, N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[2-[(cyclohexylmethyl)amino]ethyl]-2,3-dihydro- [ACD/Index Name]
N-[3,5-Bis(trifluormethyl)benzyl]-2-{2-[(cyclohexylmethyl)amino]ethyl}-1-isoindolincarboxamid [German] [ACD/IUPAC Name]
N-[3,5-Bis(trifluoromethyl)benzyl]-2-{2-[(cyclohexylmethyl)amino]ethyl}-1-isoindolinecarboxamide [ACD/IUPAC Name]
N-[3,5-Bis(trifluorométhyl)benzyl]-2-{2-[(cyclohexylméthyl)amino]éthyl}-1-isoindolinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 300.7±30.1 °C
Index of Refraction: 1.517
Molar Refractivity: 127.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.81
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 14.02
ACD/KOC (pH 5.5): 30.29
ACD/LogD (pH 7.4): 3.13
ACD/BCF (pH 7.4): 30.91
ACD/KOC (pH 7.4): 66.81
Polar Surface Area: 44 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 37.4±3.0 dyne/cm
Molar Volume: 422.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement