ChemSpider 2D Image | 1-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea | C29H30N8O

1-{3-[(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 ID24708778

More details:

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

1-{3-[(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-{3-[(6-Amino-4-quinazolinyl)amino]phenyl}-3-[1-(3-methylphenyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]urea [ACD/IUPAC Name]
1-{3-[(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-{3-[(6-aminoquinazolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea
Urea, N-[3-[(6-amino-4-quinazolinyl)amino]phenyl]-N'-[3-(1,1-dimethylethyl)-1-(3-methylphenyl)-1H-pyrazol-5-yl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL497615/
quinazoline-pyrazolourea hybrid compound, 3e
SS6

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

Density: 1.3±0.1 g/cm3
Boiling Point: 642.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.5±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: 3
ACD/LogP: 5.77
ACD/LogD (pH 5.5): 4.71
ACD/BCF (pH 5.5): 1634.55
ACD/KOC (pH 5.5): 4780.82
ACD/LogD (pH 7.4): 5.27
ACD/BCF (pH 7.4): 5869.11
ACD/KOC (pH 7.4): 17166.25
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

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