Found 34 results

Search term: MF = 'C_{29}H_{32}F_{2}N_{6}O'
ChemSpider 2D Image | (4-Fluorophenyl){4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone | C29H32F2N6O

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

  • Molecular FormulaC29H32F2N6O
  • Average mass518.601 Da
  • Monoisotopic mass518.260559 Da
  • ChemSpider ID22621537

More details:

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

(4-Fluorophenyl){4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone [ACD/IUPAC Name]
(4-Fluorophényl){4-[1-(4-fluorophényl)-3-méthyl-6-(3-méthylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazépan-1-yl}méthanone [French] [ACD/IUPAC Name]
(4-Fluorphenyl){4-[1-(4-fluorphenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanon [German] [ACD/IUPAC Name]
Methanone, (4-fluorophenyl)[4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-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: 593.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.8±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 144.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.68
ACD/BCF (pH 5.5): 1866.77
ACD/KOC (pH 5.5): 6550.70
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3177.32
ACD/KOC (pH 7.4): 11149.56
Polar Surface Area: 67 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 403.2±7.0 cm3

Click to predict properties on the Chemicalize site


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