ChemSpider 2D Image | N-[2-(1-Cyclohexen-1-yl)ethyl]-1-[4-(2-fluorophenyl)-1-piperazinyl]-7-isoquinolinecarboxamide | C28H31FN4O

N-[2-(1-Cyclohexen-1-yl)ethyl]-1-[4-(2-fluorophenyl)-1-piperazinyl]-7-isoquinolinecarboxamide

  • Molecular FormulaC28H31FN4O
  • Average mass458.570 Da
  • Monoisotopic mass458.248199 Da
  • ChemSpider ID29167097

More details:

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

7-Isoquinolinecarboxamide, N-[2-(1-cyclohexen-1-yl)ethyl]-1-[4-(2-fluorophenyl)-1-piperazinyl]- [ACD/Index Name]
N-[2-(1-Cyclohexén-1-yl)éthyl]-1-[4-(2-fluorophényl)-1-pipérazinyl]-7-isoquinoléinecarboxamide [French] [ACD/IUPAC Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-1-[4-(2-fluorophenyl)-1-piperazinyl]-7-isoquinolinecarboxamide [ACD/IUPAC Name]
N-[2-(1-Cyclohexen-1-yl)ethyl]-1-[4-(2-fluorphenyl)-1-piperazinyl]-7-isochinolincarboxamid [German] [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: 703.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.3±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 133.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.58
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 23.31
ACD/KOC (pH 5.5): 69.55
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 516.86
ACD/KOC (pH 7.4): 1542.38
Polar Surface Area: 48 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 379.1±3.0 cm3

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