ChemSpider 2D Image | 2-Benzyl-N-(2,4-dichlorophenyl)-6-{4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl}-4-pyrimidinamine | C31H30Cl2N6

2-Benzyl-N-(2,4-dichlorophenyl)-6-{4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl}-4-pyrimidinamine

  • Molecular FormulaC31H30Cl2N6
  • Average mass557.516 Da
  • Monoisotopic mass556.190918 Da
  • ChemSpider ID121378268

More details:

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

2-Benzyl-N-(2,4-dichlorophenyl)-6-{4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl}-4-pyrimidinamine [ACD/IUPAC Name]
2-Benzyl-N-(2,4-dichlorophényl)-6-{4-[2-(1H-indol-3-yl)éthyl]-1-pipérazinyl}-4-pyrimidinamine [French] [ACD/IUPAC Name]
2-Benzyl-N-(2,4-dichlorphenyl)-6-{4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl}-4-pyrimidinamin [German] [ACD/IUPAC Name]
4-Pyrimidinamine, N-(2,4-dichlorophenyl)-6-[4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl]-2-(phenylmethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 737.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 400.1±32.9 °C
Index of Refraction: 1.693
Molar Refractivity: 160.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.33
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 31.83
ACD/KOC (pH 5.5): 45.50
ACD/LogD (pH 7.4): 6.11
ACD/BCF (pH 7.4): 18426.74
ACD/KOC (pH 7.4): 26339.42
Polar Surface Area: 60 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 419.3±3.0 cm3

Click to predict properties on the Chemicalize site


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