ChemSpider 2D Image | N-(3,5-Dichlorophenyl)-6-{4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl}-2-(2-methyl-2-propanyl)-4-pyrimidinamine | C28H32Cl2N6

N-(3,5-Dichlorophenyl)-6-{4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl}-2-(2-methyl-2-propanyl)-4-pyrimidinamine

  • Molecular FormulaC28H32Cl2N6
  • Average mass523.500 Da
  • Monoisotopic mass522.206543 Da
  • ChemSpider ID121445694

More details:

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

4-Pyrimidinamine, N-(3,5-dichlorophenyl)-2-(1,1-dimethylethyl)-6-[4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl]- [ACD/Index Name]
N-(3,5-Dichlorophenyl)-6-{4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl}-2-(2-methyl-2-propanyl)-4-pyrimidinamine [ACD/IUPAC Name]
N-(3,5-Dichlorophényl)-6-{4-[2-(1H-indol-3-yl)éthyl]-1-pipérazinyl}-2-(2-méthyl-2-propanyl)-4-pyrimidinamine [French] [ACD/IUPAC Name]
N-(3,5-Dichlorphenyl)-6-{4-[2-(1H-indol-3-yl)ethyl]-1-piperazinyl}-2-(2-methyl-2-propanyl)-4-pyrimidinamin [German] [ACD/IUPAC 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: 679.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.7±3.0 kJ/mol
Flash Point: 364.6±31.5 °C
Index of Refraction: 1.659
Molar Refractivity: 149.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 20.91
ACD/KOC (pH 5.5): 31.13
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 12949.88
ACD/KOC (pH 7.4): 19276.41
Polar Surface Area: 60 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 406.6±3.0 cm3

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