ChemSpider 2D Image | (2-Fluorophenyl){4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone | C27H28F2N6O

(2-Fluorophenyl){4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone

  • Molecular FormulaC27H28F2N6O
  • Average mass490.548 Da
  • Monoisotopic mass490.229279 Da
  • ChemSpider ID22621210

More details:

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

(2-Fluorophenyl){4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone [ACD/IUPAC Name]
(2-Fluorophényl){4-[1-(4-fluorophényl)-3-méthyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazépan-1-yl}méthanone [French] [ACD/IUPAC Name]
(2-Fluorphenyl){4-[1-(4-fluorphenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanon [German] [ACD/IUPAC Name]
Methanone, (2-fluorophenyl)[4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hexahydro-1H-1,4-diazepin-1-yl]- [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: 576.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.4±30.1 °C
Index of Refraction: 1.649
Molar Refractivity: 135.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 399.27
ACD/KOC (pH 5.5): 2167.87
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 683.87
ACD/KOC (pH 7.4): 3713.19
Polar Surface Area: 67 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 372.0±7.0 cm3

Click to predict properties on the Chemicalize site


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