ChemSpider 2D Image | 1-{3-[(6-Aminoquinolin-4-Yl)amino]phenyl}-3-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]urea | C30H31N7O

1-{3-[(6-Aminoquinolin-4-Yl)amino]phenyl}-3-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]urea

  • Molecular FormulaC30H31N7O
  • Average mass505.613 Da
  • Monoisotopic mass505.259003 Da
  • ChemSpider ID24633398

More details:

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

1-{3-[(6-Amino-4-chinolinyl)amino]phenyl}-3-[1-(4-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]harnstoff [German] [ACD/IUPAC Name]
1-{3-[(6-Amino-4-quinoléinyl)amino]phényl}-3-[1-(4-méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]urée [French] [ACD/IUPAC Name]
1-{3-[(6-Amino-4-quinolinyl)amino]phenyl}-3-[1-(4-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]urea [ACD/IUPAC Name]
1-{3-[(6-Aminoquinolin-4-Yl)amino]phenyl}-3-[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]urea
Urea, N-[3-[(6-amino-4-quinolinyl)amino]phenyl]-N'-[3-(1,1-dimethylethyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl]- [ACD/Index Name]
L51

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.6±31.5 °C
Index of Refraction: 1.667
Molar Refractivity: 149.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 331.04
ACD/KOC (pH 5.5): 808.03
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 7797.68
ACD/KOC (pH 7.4): 19033.29
Polar Surface Area: 110 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 402.5±7.0 cm3

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