ChemSpider 2D Image | 3-{4-[(5-Chloro-7-methyl-1,3-benzoxazol-2-yl)amino]-3-fluorophenyl}-1-[4-(2-methoxyethoxy)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C28H29ClFN7O3

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

  • Molecular FormulaC28H29ClFN7O3
  • Average mass566.026 Da
  • Monoisotopic mass565.200439 Da
  • ChemSpider ID24808763

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]-2-fluorophenyl]-5-chloro-7-methyl- [ACD/Index Name]
3-{4-[(5-Chlor-7-methyl-1,3-benzoxazol-2-yl)amino]-3-fluorphenyl}-1-[4-(2-methoxyethoxy)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
3-{4-[(5-Chloro-7-methyl-1,3-benzoxazol-2-yl)amino]-3-fluorophenyl}-1-[4-(2-methoxyethoxy)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
3-{4-[(5-Chloro-7-méthyl-1,3-benzoxazol-2-yl)amino]-3-fluorophényl}-1-[4-(2-méthoxyéthoxy)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
Kinome_2047

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

Density: 1.5±0.1 g/cm3
Boiling Point: 741.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 402.4±35.7 °C
Index of Refraction: 1.711
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: 4.47
ACD/LogD (pH 5.5): 4.55
ACD/BCF (pH 5.5): 1691.33
ACD/KOC (pH 5.5): 7061.13
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1739.20
ACD/KOC (pH 7.4): 7260.97
Polar Surface Area: 126 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 55.8±7.0 dyne/cm
Molar Volume: 372.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement