ChemSpider 2D Image | 4-(2,3-Difluorophenyl)-N~6~-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine | C22H23F2N7O

4-(2,3-Difluorophenyl)-N6-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine

  • Molecular FormulaC22H23F2N7O
  • Average mass439.461 Da
  • Monoisotopic mass439.193207 Da
  • ChemSpider ID22620229

More details:

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

2H-Pyrazolo[3,4-d]pyrimidine-3,6-diamine, 4-(2,3-difluorophenyl)-N6-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)- [ACD/Index Name]
4-(2,3-Difluorophenyl)-N6-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine [ACD/IUPAC Name]
4-(2,3-Difluorophényl)-N6-[2-(diméthylamino)éthyl]-2-(4-méthoxyphényl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine [French] [ACD/IUPAC Name]
4-(2,3-Difluorphenyl)-N6-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-3,6-diamin [German] [ACD/IUPAC 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: 546.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.5±32.9 °C
Index of Refraction: 1.649
Molar Refractivity: 116.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.30
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 3.70
ACD/KOC (pH 7.4): 32.20
Polar Surface Area: 94 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 319.3±7.0 cm3

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