ChemSpider 2D Image | (2-Chloro-4-nitrophenyl){4-[1-(4-fluorophenyl)-3-methyl-6-(4-methylbenzyl)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}methanone | C31H29ClFN7O3

(2-Chloro-4-nitrophenyl){4-[1-(4-fluorophenyl)-3-methyl-6-(4-methylbenzyl)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}methanone

  • Molecular FormulaC31H29ClFN7O3
  • Average mass602.058 Da
  • Monoisotopic mass601.200439 Da
  • ChemSpider ID109948465

More details:

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

(2-Chlor-4-nitrophenyl){4-[1-(4-fluorphenyl)-3-methyl-6-(4-methylbenzyl)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
(2-Chloro-4-nitrophenyl){4-[1-(4-fluorophenyl)-3-methyl-6-(4-methylbenzyl)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl}methanone [ACD/IUPAC Name]
(2-Chloro-4-nitrophényl){4-[1-(4-fluorophényl)-3-méthyl-6-(4-méthylbenzyl)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (2-chloro-4-nitrophenyl)[4-[1-(4-fluorophenyl)-2,3-dihydro-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1-piperazinyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 778.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 424.6±35.7 °C
Index of Refraction: 1.649
Molar Refractivity: 160.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1516.50
ACD/KOC (pH 5.5): 5262.08
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3285.65
ACD/KOC (pH 7.4): 11400.81
Polar Surface Area: 110 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 440.3±3.0 cm3

Click to predict properties on the Chemicalize site


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