ChemSpider 2D Image | 4-{[2-(Diethylamino)ethyl]amino}-N-(3,4-difluorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | C22H28F2N6O2

4-{[2-(Diethylamino)ethyl]amino}-N-(3,4-difluorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

  • Molecular FormulaC22H28F2N6O2
  • Average mass446.493 Da
  • Monoisotopic mass446.224182 Da
  • ChemSpider ID125870268

More details:

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

4-{[2-(Diethylamino)ethyl]amino}-N-(3,4-difluorophenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [ACD/IUPAC Name]
4-{[2-(Diéthylamino)éthyl]amino}-N-(3,4-difluorophényl)-7-(2-méthoxyéthyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
4-{[2-(Diethylamino)ethyl]amino}-N-(3,4-difluorphenyl)-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
7H-Pyrrolo[2,3-d]pyrimidine-6-carboxamide, 4-[[2-(diethylamino)ethyl]amino]-N-(3,4-difluorophenyl)-7-(2-methoxyethyl)- [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: 541.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.5±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 117.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): -0.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.58
Polar Surface Area: 84 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 348.3±7.0 cm3

Click to predict properties on the Chemicalize site


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