ChemSpider 2D Image | trans-4-[(4-{4-[3-(Methylsulfonyl)propoxy]-1H-indazol-1-yl}-2-pyrimidinyl)amino]cyclohexanol | C21H27N5O4S

trans-4-[(4-{4-[3-(Methylsulfonyl)propoxy]-1H-indazol-1-yl}-2-pyrimidinyl)amino]cyclohexanol

  • Molecular FormulaC21H27N5O4S
  • Average mass445.535 Da
  • Monoisotopic mass445.178375 Da
  • ChemSpider ID30787476

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanol, 4-[[4-[4-[3-(methylsulfonyl)propoxy]-1H-indazol-1-yl]-2-pyrimidinyl]amino]-, trans- [ACD/Index Name]
trans-4-[(4-{4-[3-(Methylsulfonyl)propoxy]-1H-indazol-1-yl}-2-pyrimidinyl)amino]cyclohexanol [German] [ACD/IUPAC Name]
trans-4-[(4-{4-[3-(Methylsulfonyl)propoxy]-1H-indazol-1-yl}-2-pyrimidinyl)amino]cyclohexanol [ACD/IUPAC Name]
trans-4-[(4-{4-[3-(Méthylsulfonyl)propoxy]-1H-indazol-1-yl}-2-pyrimidinyl)amino]cyclohexanol [French] [ACD/IUPAC Name]
Trans-4-[(4-{4-[3-(Methylsulfonyl)propoxy]-1h-Indazol-1-Yl}pyrimidin-2-Yl)amino]cyclohexanol
1BK

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

Density: 1.4±0.1 g/cm3
Boiling Point: 701.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 378.1±35.7 °C
Index of Refraction: 1.682
Molar Refractivity: 117.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.06
ACD/KOC (pH 5.5): 206.80
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.06
ACD/KOC (pH 7.4): 206.89
Polar Surface Area: 128 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 59.2±7.0 dyne/cm
Molar Volume: 309.2±7.0 cm3

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