ChemSpider 2D Image | trans-4-({6-[(5-Phenyl-1H-pyrazol-3-yl)amino]-4-(phenylsulfonyl)-2-pyridinyl}amino)cyclohexanol | C26H27N5O3S

trans-4-({6-[(5-Phenyl-1H-pyrazol-3-yl)amino]-4-(phenylsulfonyl)-2-pyridinyl}amino)cyclohexanol

  • Molecular FormulaC26H27N5O3S
  • Average mass489.589 Da
  • Monoisotopic mass489.183472 Da
  • ChemSpider ID35035028
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Cyclohexanol, 4-[[6-[(5-phenyl-1H-pyrazol-3-yl)amino]-4-(phenylsulfonyl)-2-pyridinyl]amino]-, trans- [ACD/Index Name]
trans-4-({6-[(5-Phenyl-1H-pyrazol-3-yl)amino]-4-(phenylsulfonyl)-2-pyridinyl}amino)cyclohexanol [German] [ACD/IUPAC Name]
trans-4-({6-[(5-Phenyl-1H-pyrazol-3-yl)amino]-4-(phenylsulfonyl)-2-pyridinyl}amino)cyclohexanol [ACD/IUPAC Name]
trans-4-({6-[(5-Phényl-1H-pyrazol-3-yl)amino]-4-(phénylsulfonyl)-2-pyridinyl}amino)cyclohexanol [French] [ACD/IUPAC Name]
Trans-4-({6-[(5-Phenyl-1h-Pyrazol-3-Yl)amino]-4-(Phenylsulfonyl)pyridin-2-Yl}amino)cyclohexanol
30T

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 794.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 434.1±32.9 °C
Index of Refraction: 1.683
Molar Refractivity: 133.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 512.25
ACD/KOC (pH 5.5): 3025.12
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 513.51
ACD/KOC (pH 7.4): 3032.56
Polar Surface Area: 128 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 73.3±3.0 dyne/cm
Molar Volume: 352.8±3.0 cm3

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