ChemSpider 2D Image | 1-{4-[7-Amino-3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea | C27H19F3N6O3

1-{4-[7-Amino-3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea

  • Molecular FormulaC27H19F3N6O3
  • Average mass532.473 Da
  • Monoisotopic mass532.147095 Da
  • ChemSpider ID24809096

More details:

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

1-{4-[7-Amino-3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl}-3-[3-(trifluormethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-{4-[7-Amino-3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea [ACD/IUPAC Name]
1-{4-[7-Amino-3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phényl}-3-[3-(trifluorométhyl)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-[4-[7-amino-3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]-N'-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
Kinome_402

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.64
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 639.20
ACD/KOC (pH 5.5): 3530.72
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 649.57
ACD/KOC (pH 7.4): 3587.99
Polar Surface Area: 116 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 346.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement