ChemSpider 2D Image | 4-(3-Ethyl-7-fluoro-2,3-dimethyl-3H-indol-5-yl)-N-{5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl}-5-fluoro-2-pyrimidinamine | C28H33F2N7

4-(3-Ethyl-7-fluoro-2,3-dimethyl-3H-indol-5-yl)-N-{5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl}-5-fluoro-2-pyrimidinamine

  • Molecular FormulaC28H33F2N7
  • Average mass505.605 Da
  • Monoisotopic mass505.276550 Da
  • ChemSpider ID90643123

More details:

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

2-Pyrimidinamine, 4-(3-ethyl-7-fluoro-2,3-dimethyl-3H-indol-5-yl)-N-[5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl]-5-fluoro- [ACD/Index Name]
4-(3-Ethyl-7-fluor-2,3-dimethyl-3H-indol-5-yl)-N-{5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl}-5-fluor-2-pyrimidinamin [German] [ACD/IUPAC Name]
4-(3-Ethyl-7-fluoro-2,3-dimethyl-3H-indol-5-yl)-N-{5-[(4-ethyl-1-piperazinyl)methyl]-2-pyridinyl}-5-fluoro-2-pyrimidinamine [ACD/IUPAC Name]
4-(3-Éthyl-7-fluoro-2,3-diméthyl-3H-indol-5-yl)-N-{5-[(4-éthyl-1-pipérazinyl)méthyl]-2-pyridinyl}-5-fluoro-2-pyrimidinamine [French] [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: 657.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.2±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 141.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.18
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 8.61
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 48.96
ACD/KOC (pH 7.4): 412.88
Polar Surface Area: 70 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 44.3±7.0 dyne/cm
Molar Volume: 393.0±7.0 cm3

Click to predict properties on the Chemicalize site


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