ChemSpider 2D Image | 3-{4-[(5,7-Dimethyl-1,3-benzoxazol-2-yl)amino]phenyl}-1-[4-(2-methoxyethoxy)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C29H33N7O3

3-{4-[(5,7-Dimethyl-1,3-benzoxazol-2-yl)amino]phenyl}-1-[4-(2-methoxyethoxy)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC29H33N7O3
  • Average mass527.617 Da
  • Monoisotopic mass527.264465 Da
  • ChemSpider ID24808770

More details:

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

2-Benzoxazolamine, N-[4-[4-amino-1-[4-(2-methoxyethoxy)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-5,7-dimethyl- [ACD/Index Name]
3-{4-[(5,7-Dimethyl-1,3-benzoxazol-2-yl)amino]phenyl}-1-[4-(2-methoxyethoxy)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
3-{4-[(5,7-Dimethyl-1,3-benzoxazol-2-yl)amino]phenyl}-1-[4-(2-methoxyethoxy)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
3-{4-[(5,7-Diméthyl-1,3-benzoxazol-2-yl)amino]phényl}-1-[4-(2-méthoxyéthoxy)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
Kinome_2010

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

Density: 1.4±0.1 g/cm3
Boiling Point: 736.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 399.1±35.7 °C
Index of Refraction: 1.703
Molar Refractivity: 145.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1056.47
ACD/KOC (pH 5.5): 4903.02
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1196.94
ACD/KOC (pH 7.4): 5554.92
Polar Surface Area: 126 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 375.6±7.0 cm3

Click to predict properties on the Chemicalize site


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