ChemSpider 2D Image | 1-[2-(1-Propyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea | C20H21F3N4O

1-[2-(1-Propyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea

  • Molecular FormulaC20H21F3N4O
  • Average mass390.402 Da
  • Monoisotopic mass390.166748 Da
  • ChemSpider ID29128365

More details:

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

1-[2-(1-Propyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-[3-(trifluormethyl)phenyl]harnstoff [German] [ACD/IUPAC Name]
1-[2-(1-Propyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea [ACD/IUPAC Name]
1-[2-(1-Propyl-1H-pyrrolo[2,3-b]pyridin-3-yl)éthyl]-3-[3-(trifluorométhyl)phényl]urée [French] [ACD/IUPAC Name]
Urea, N-[2-(1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-N'-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
N-[2-(1-propyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-N'-[3-(trifluoromethyl)phenyl]urea

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

Density: 1.3±0.1 g/cm3
Boiling Point: 507.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 260.8±30.1 °C
Index of Refraction: 1.578
Molar Refractivity: 101.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.72
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 601.59
ACD/KOC (pH 5.5): 2788.46
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1189.15
ACD/KOC (pH 7.4): 5511.86
Polar Surface Area: 59 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 304.3±7.0 cm3

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