ChemSpider 2D Image | 1-{4-[(6-Aminoquinazolin-4-Yl)amino]phenyl}-3-[3-Tert-Butyl-1-(3-Methylphenyl)-1h-Pyrazol-5-Yl]urea | C29H30N8O

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

  • Molecular FormulaC29H30N8O
  • Average mass506.602 Da
  • Monoisotopic mass506.254272 Da
  • ChemSpider ID24707780

More details:

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

1-{4-[(6-Amino-4-chinazolinyl)amino]phenyl}-3-[1-(3-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]harnstoff [German] [ACD/IUPAC Name]
1-{4-[(6-Amino-4-quinazolinyl)amino]phenyl}-3-[1-(3-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]urea [ACD/IUPAC Name]
1-{4-[(6-Amino-4-quinazolinyl)amino]phényl}-3-[1-(3-méthylphényl)-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]urée [French] [ACD/IUPAC Name]
1-{4-[(6-Aminoquinazolin-4-Yl)amino]phenyl}-3-[3-Tert-Butyl-1-(3-Methylphenyl)-1h-Pyrazol-5-Yl]urea
Urea, N-[4-[(6-amino-4-quinazolinyl)amino]phenyl]-N'-[3-(1,1-dimethylethyl)-1-(3-methylphenyl)-1H-pyrazol-5-yl]- [ACD/Index Name]
1BU
quinazoline-pyrazolourea hybrid compound, 3b

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 646.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.6±31.5 °C
Index of Refraction: 1.683
Molar Refractivity: 148.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 950.88
ACD/KOC (pH 5.5): 3234.16
ACD/LogD (pH 7.4): 4.96
ACD/BCF (pH 7.4): 3449.64
ACD/KOC (pH 7.4): 11733.03
Polar Surface Area: 123 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 391.2±7.0 cm3

Click to predict properties on the Chemicalize site


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