ChemSpider 2D Image | 1-[4-(4-Amino-3-{4-[2-(4-morpholinyl)ethoxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]urea | C31H35N9O4

1-[4-(4-Amino-3-{4-[2-(4-morpholinyl)ethoxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]urea

  • Molecular FormulaC31H35N9O4
  • Average mass597.667 Da
  • Monoisotopic mass597.281189 Da
  • ChemSpider ID76765478

More details:

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

1-[4-(4-Amino-3-{4-[2-(4-morpholinyl)ethoxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]harnstoff [German] [ACD/IUPAC Name]
1-[4-(4-Amino-3-{4-[2-(4-morpholinyl)ethoxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-[5-(2-methyl-2-propanyl)-1,2-oxazol-3-yl]urea [ACD/IUPAC Name]
1-[4-(4-Amino-3-{4-[2-(4-morpholinyl)éthoxy]phényl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)phényl]-3-[5-(2-méthyl-2-propanyl)-1,2-oxazol-3-yl]urée [French] [ACD/IUPAC Name]
Urea, N-[4-[4-amino-3-[4-[2-(4-morpholinyl)ethoxy]phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]phenyl]-N'-[5-(1,1-dimethylethyl)-3-isoxazolyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 705.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.2±32.9 °C
Index of Refraction: 1.693
Molar Refractivity: 163.3±0.5 cm3
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 19.83
ACD/KOC (pH 5.5): 172.30
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 123.14
ACD/KOC (pH 7.4): 1069.89
Polar Surface Area: 158 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 425.6±7.0 cm3

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