ChemSpider 2D Image | trans-4-({4-[Difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-2-pyrimidinyl}amino)cyclohexanol | C24H23F3N6O2S

trans-4-({4-[Difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-2-pyrimidinyl}amino)cyclohexanol

  • Molecular FormulaC24H23F3N6O2S
  • Average mass516.539 Da
  • Monoisotopic mass516.155518 Da
  • ChemSpider ID30838577

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanol, 4-[[4-[difluoro(4-fluorophenyl)methyl]-6-[(5-methoxythiazolo[5,4-b]pyridin-2-yl)amino]-2-pyrimidinyl]amino]-, trans- [ACD/Index Name]
trans-4-({4-[Difluor(4-fluorphenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-2-pyrimidinyl}amino)cyclohexanol [German] [ACD/IUPAC Name]
trans-4-({4-[Difluoro(4-fluorophenyl)methyl]-6-[(5-methoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-2-pyrimidinyl}amino)cyclohexanol [ACD/IUPAC Name]
trans-4-({4-[Difluoro(4-fluorophényl)méthyl]-6-[(5-méthoxy[1,3]thiazolo[5,4-b]pyridin-2-yl)amino]-2-pyrimidinyl}amino)cyclohexanol [French] [ACD/IUPAC Name]
Trans-4-({4-[difluoro(4-Fluorophenyl)methyl]-6-[(5-Methoxy[1,3]thiazolo[5,4-B]pyridin-2-Yl)amino]pyrimidin-2-Yl}amino)cyclohexanol
G7K

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

Density: 1.5±0.1 g/cm3
Boiling Point: 678.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 364.3±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 132.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1077.75
ACD/KOC (pH 5.5): 5014.50
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1186.76
ACD/KOC (pH 7.4): 5521.66
Polar Surface Area: 133 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 350.3±3.0 cm3

Click to predict properties on the Chemicalize site


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