ChemSpider 2D Image | 1-(2,6-Difluorophenyl)-1-[4-(2-fluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]urea | C20H14F3N5O

1-(2,6-Difluorophenyl)-1-[4-(2-fluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]urea

  • Molecular FormulaC20H14F3N5O
  • Average mass397.353 Da
  • Monoisotopic mass397.115051 Da
  • ChemSpider ID24808280

More details:

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

1-(2,6-Difluorophenyl)-1-[4-(2-fluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]urea [ACD/IUPAC Name]
1-(2,6-Difluorophényl)-1-[4-(2-fluorophényl)-7-méthyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]urée [French] [ACD/IUPAC Name]
1-(2,6-Difluorphenyl)-1-[4-(2-fluorphenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]harnstoff [German] [ACD/IUPAC Name]
Urea, N-(2,6-difluorophenyl)-N-[4-(2-fluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]- [ACD/Index Name]
Kinome_3779

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

Density: 1.5±0.1 g/cm3
Boiling Point: 586.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.2±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 100.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 152.90
ACD/KOC (pH 5.5): 1173.81
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 202.88
ACD/KOC (pH 7.4): 1557.49
Polar Surface Area: 77 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 273.2±7.0 cm3

Click to predict properties on the Chemicalize site


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