ChemSpider 2D Image | N-[2-(Diethylamino)ethyl]-7-ethyl-4-[4-(4-fluorophenyl)-1-piperazinyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide | C25H34FN7O

N-[2-(Diethylamino)ethyl]-7-ethyl-4-[4-(4-fluorophenyl)-1-piperazinyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

  • Molecular FormulaC25H34FN7O
  • Average mass467.582 Da
  • Monoisotopic mass467.280884 Da
  • ChemSpider ID125793244

More details:

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

7H-Pyrrolo[2,3-d]pyrimidine-6-carboxamide, N-[2-(diethylamino)ethyl]-7-ethyl-4-[4-(4-fluorophenyl)-1-piperazinyl]- [ACD/Index Name]
N-[2-(Diethylamino)ethyl]-7-ethyl-4-[4-(4-fluorophenyl)-1-piperazinyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [ACD/IUPAC Name]
N-[2-(Diéthylamino)éthyl]-7-éthyl-4-[4-(4-fluorophényl)-1-pipérazinyl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
N-[2-(Diethylamino)ethyl]-7-ethyl-4-[4-(4-fluorphenyl)-1-piperazinyl]-7H-pyrrolo[2,3-d]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 697.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.6±31.5 °C
Index of Refraction: 1.625
Molar Refractivity: 132.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): -0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 1.05
ACD/KOC (pH 7.4): 10.33
Polar Surface Area: 70 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 375.4±7.0 cm3

Click to predict properties on the Chemicalize site


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