ChemSpider 2D Image | trans-4-({2-(Butylamino)-5-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-4-pyrimidinyl}amino)cyclohexanol | C23H34N6O4S

trans-4-({2-(Butylamino)-5-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-4-pyrimidinyl}amino)cyclohexanol

  • Molecular FormulaC23H34N6O4S
  • Average mass490.619 Da
  • Monoisotopic mass490.236237 Da
  • ChemSpider ID31130692

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanol, 4-[[2-(butylamino)-5-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-4-pyrimidinyl]amino]-, trans- [ACD/Index Name]
trans-4-({2-(Butylamino)-5-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-4-pyrimidinyl}amino)cyclohexanol [German] [ACD/IUPAC Name]
trans-4-({2-(Butylamino)-5-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-4-pyrimidinyl}amino)cyclohexanol [ACD/IUPAC Name]
trans-4-({2-(Butylamino)-5-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-4-pyrimidinyl}amino)cyclohexanol [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 731.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.1±3.0 kJ/mol
Flash Point: 396.2±35.7 °C
Index of Refraction: 1.616
Molar Refractivity: 128.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 4.58
ACD/KOC (pH 5.5): 73.65
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 14.68
ACD/KOC (pH 7.4): 236.15
Polar Surface Area: 138 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 67.4±3.0 dyne/cm
Molar Volume: 368.7±3.0 cm3

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