ChemSpider 2D Image | 1-(1',4-Dimethyl-1-phenyl-1H,1'H-3,4'-bipyrazol-5-yl)-3-[6-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydro-4-isoquinolinyl]urea | C29H32F3N7O2

1-(1',4-Dimethyl-1-phenyl-1H,1'H-3,4'-bipyrazol-5-yl)-3-[6-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydro-4-isoquinolinyl]urea

  • Molecular FormulaC29H32F3N7O2
  • Average mass567.605 Da
  • Monoisotopic mass567.256958 Da
  • ChemSpider ID129054930

More details:

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

1-(1',4-Dimethyl-1-phenyl-1H,1'H-3,4'-bipyrazol-5-yl)-3-[6-(methoxymethyl)-1-methyl-2-(2,2,2-trifluorethyl)-1,2,3,4-tetrahydro-4-isochinolinyl]harnstoff [German] [ACD/IUPAC Name]
1-(1',4-Diméthyl-1-phényl-1H,1'H-3,4'-bipyrazol-5-yl)-3-[6-(méthoxyméthyl)-1-méthyl-2-(2,2,2-trifluoroéthyl)-1,2,3,4-tétrahydro-4-isoquinoléinyl]urée [French] [ACD/IUPAC Name]
1-(1',4-Dimethyl-1-phenyl-1H,1'H-3,4'-bipyrazol-5-yl)-3-[6-(methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydro-4-isoquinolinyl]urea [ACD/IUPAC Name]
Urea, N-(1',4-dimethyl-1-phenyl[3,4'-bi-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: 650.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 347.1±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: 5.69
ACD/LogD (pH 5.5): 4.96
ACD/BCF (pH 5.5): 3477.03
ACD/KOC (pH 5.5): 11921.06
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3479.02
ACD/KOC (pH 7.4): 11927.88
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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