ChemSpider 2D Image | N-[4-(Hexyloxy)phenyl]-6-{4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl}-2-phenyl-4-pyrimidinamine | C36H42N6O

N-[4-(Hexyloxy)phenyl]-6-{4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl}-2-phenyl-4-pyrimidinamine

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID121527818

More details:

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

4-Pyrimidinamine, N-[4-(hexyloxy)phenyl]-6-[4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl]-2-phenyl- [ACD/Index Name]
N-[4-(Hexyloxy)phenyl]-6-{4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl}-2-phenyl-4-pyrimidinamin [German] [ACD/IUPAC Name]
N-[4-(Hexyloxy)phenyl]-6-{4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl}-2-phenyl-4-pyrimidinamine [ACD/IUPAC Name]
N-[4-(Hexyloxy)phényl]-6-{4-[2-(1H-indol-3-yl)éthyl]-1-pipérazinyl}-2-phényl-4-pyrimidinamine [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: 708.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.5±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 176.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.13
ACD/LogD (pH 5.5): 4.74
ACD/BCF (pH 5.5): 478.07
ACD/KOC (pH 5.5): 440.24
ACD/LogD (pH 7.4): 7.15
ACD/BCF (pH 7.4): 124602.34
ACD/KOC (pH 7.4): 114740.62
Polar Surface Area: 69 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 487.8±3.0 cm3

Click to predict properties on the Chemicalize site


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