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Search term: VXENEMCDVCFWGW-JKIUYZKVSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-[(trans-4-Aminocyclohexyl)methyl]-3-(4-fluorophenyl)-N-(3-phenylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine | C27H31FN6

1-[(trans-4-Aminocyclohexyl)methyl]-3-(4-fluorophenyl)-N-(3-phenylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

  • Molecular FormulaC27H31FN6
  • Average mass458.574 Da
  • Monoisotopic mass458.259430 Da
  • ChemSpider ID28507131

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(trans-4-Aminocyclohexyl)methyl]-3-(4-fluorophenyl)-N-(3-phenylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine [ACD/IUPAC Name]
1-[(trans-4-Aminocyclohexyl)méthyl]-3-(4-fluorophényl)-N-(3-phénylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine [French] [ACD/IUPAC Name]
1-[(trans-4-Aminocyclohexyl)methyl]-3-(4-fluorphenyl)-N-(3-phenylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amin [German] [ACD/IUPAC Name]
1H-Pyrazolo[3,4-d]pyrimidin-6-amine, 1-[(trans-4-aminocyclohexyl)methyl]-3-(4-fluorophenyl)-N-(3-phenylpropyl)- [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: 656.6±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: 350.9±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 132.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 3.65
ACD/KOC (pH 5.5): 11.55
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 7.85
ACD/KOC (pH 7.4): 24.82
Polar Surface Area: 82 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 353.5±7.0 cm3

Click to predict properties on the Chemicalize site


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