ChemSpider 2D Image | 1-(4-Fluorophenyl)-6,6-dimethyl-N-{[2-(2-methylphenyl)-5-pyrimidinyl]methyl}-4,5,6,7-tetrahydro-1H-indazol-4-amine | C27H28FN5

1-(4-Fluorophenyl)-6,6-dimethyl-N-{[2-(2-methylphenyl)-5-pyrimidinyl]methyl}-4,5,6,7-tetrahydro-1H-indazol-4-amine

  • Molecular FormulaC27H28FN5
  • Average mass441.543 Da
  • Monoisotopic mass441.232880 Da
  • ChemSpider ID22155595

More details:

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

1-(4-Fluorophenyl)-6,6-dimethyl-N-{[2-(2-methylphenyl)-5-pyrimidinyl]methyl}-4,5,6,7-tetrahydro-1H-indazol-4-amine [ACD/IUPAC Name]
1-(4-Fluorophényl)-6,6-diméthyl-N-{[2-(2-méthylphényl)-5-pyrimidinyl]méthyl}-4,5,6,7-tétrahydro-1H-indazol-4-amine [French] [ACD/IUPAC Name]
1-(4-Fluorphenyl)-6,6-dimethyl-N-{[2-(2-methylphenyl)-5-pyrimidinyl]methyl}-4,5,6,7-tetrahydro-1H-indazol-4-amin [German] [ACD/IUPAC Name]
1H-Indazol-4-amine, 1-(4-fluorophenyl)-4,5,6,7-tetrahydro-6,6-dimethyl-N-[[2-(2-methylphenyl)-5-pyrimidinyl]methyl]- [ACD/Index 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: 537.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.1±30.1 °C
Index of Refraction: 1.644
Molar Refractivity: 130.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.92
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 510.01
ACD/KOC (pH 5.5): 1591.40
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4374.81
ACD/KOC (pH 7.4): 13650.87
Polar Surface Area: 56 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 359.5±7.0 cm3

Click to predict properties on the Chemicalize site


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