ChemSpider 2D Image | 1-[6-(Methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydro-4-isoquinolinyl]-3-[4-methyl-3-(1-methyl-1H-imidazol-4-yl)-1-phenyl-1H-pyrazol-5-yl]urea | C29H32F3N7O2

1-[6-(Methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydro-4-isoquinolinyl]-3-[4-methyl-3-(1-methyl-1H-imidazol-4-yl)-1-phenyl-1H-pyrazol-5-yl]urea

  • Molecular FormulaC29H32F3N7O2
  • Average mass567.605 Da
  • Monoisotopic mass567.256958 Da
  • ChemSpider ID129054932

More details:

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

1-[6-(Methoxymethyl)-1-methyl-2-(2,2,2-trifluorethyl)-1,2,3,4-tetrahydro-4-isochinolinyl]-3-[4-methyl-3-(1-methyl-1H-imidazol-4-yl)-1-phenyl-1H-pyrazol-5-yl]harnstoff [German] [ACD/IUPAC Name]
1-[6-(Méthoxyméthyl)-1-méthyl-2-(2,2,2-trifluoroéthyl)-1,2,3,4-tétrahydro-4-isoquinoléinyl]-3-[4-méthyl-3-(1-méthyl-1H-imidazol-4-yl)-1-phényl-1H-pyrazol-5-yl]urée [French] [ACD/IUPAC Name]
1-[6-(Methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydro-4-isoquinolinyl]-3-[4-methyl-3-(1-methyl-1H-imidazol-4-yl)-1-phenyl-1H-pyrazol-5-yl]urea [ACD/IUPAC Name]
Urea, N-[4-methyl-3-(1-methyl-1H-imidazol-4-yl)-1-phenyl-1H-pyrazol-5-yl]-N'-[1,2,3,4-tetrahydro-6-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)-4-isoquinolinyl]- [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: 677.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 363.6±31.5 °C
Index of Refraction: 1.626
Molar Refractivity: 149.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.06
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3209.67
ACD/KOC (pH 5.5): 10850.01
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3649.95
ACD/KOC (pH 7.4): 12338.35
Polar Surface Area: 89 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 421.6±7.0 cm3

Click to predict properties on the Chemicalize site


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