ChemSpider 2D Image | cis-4-{6-(Butylamino)-3-[4-(4-morpholinylsulfonyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}cyclohexanol | C25H34N6O4S

cis-4-{6-(Butylamino)-3-[4-(4-morpholinylsulfonyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}cyclohexanol

  • Molecular FormulaC25H34N6O4S
  • Average mass514.640 Da
  • Monoisotopic mass514.236206 Da
  • ChemSpider ID35523213

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

cis-4-{6-(Butylamino)-3-[4-(4-morpholinylsulfonyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}cyclohexanol [German] [ACD/IUPAC Name]
cis-4-{6-(Butylamino)-3-[4-(4-morpholinylsulfonyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}cyclohexanol [ACD/IUPAC Name]
cis-4-{6-(Butylamino)-3-[4-(4-morpholinylsulfonyl)phényl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl}cyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 4-[6-(butylamino)-3-[4-(4-morpholinylsulfonyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-, cis- [ACD/Index Name]
1350549-36-8 [RN]
UNC 1025
UNC-1062A

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

Density: 1.4±0.1 g/cm3
Boiling Point: 744.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.9±3.0 kJ/mol
Flash Point: 403.8±35.7 °C
Index of Refraction: 1.697
Molar Refractivity: 137.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.66
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 88.11
ACD/KOC (pH 5.5): 855.04
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.43
ACD/KOC (pH 7.4): 867.87
Polar Surface Area: 131 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 60.4±7.0 dyne/cm
Molar Volume: 355.6±7.0 cm3

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