ChemSpider 2D Image | trans-4-[(4-{4-[4-(Methylsulfonyl)-1-piperidinyl]-1H-indol-1-yl}-2-pyrimidinyl)amino]cyclohexanol | C24H31N5O3S

trans-4-[(4-{4-[4-(Methylsulfonyl)-1-piperidinyl]-1H-indol-1-yl}-2-pyrimidinyl)amino]cyclohexanol

  • Molecular FormulaC24H31N5O3S
  • Average mass469.600 Da
  • Monoisotopic mass469.214752 Da
  • ChemSpider ID30827649

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanol, 4-[[4-[4-[4-(methylsulfonyl)-1-piperidinyl]-1H-indol-1-yl]-2-pyrimidinyl]amino]-, trans- [ACD/Index Name]
trans-4-[(4-{4-[4-(Methylsulfonyl)-1-piperidinyl]-1H-indol-1-yl}-2-pyrimidinyl)amino]cyclohexanol [German] [ACD/IUPAC Name]
trans-4-[(4-{4-[4-(Methylsulfonyl)-1-piperidinyl]-1H-indol-1-yl}-2-pyrimidinyl)amino]cyclohexanol [ACD/IUPAC Name]
trans-4-[(4-{4-[4-(Méthylsulfonyl)-1-pipéridinyl]-1H-indol-1-yl}-2-pyrimidinyl)amino]cyclohexanol [French] [ACD/IUPAC Name]
Trans-4-[(4-{4-[4-(Methylsulfonyl)piperidin-1-Yl]-1h-Indol-1-Yl}pyrimidin-2-Yl)amino]cyclohexanol
1J2
US8536172, 16

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

Density: 1.4±0.1 g/cm3
Boiling Point: 706.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.5±3.0 kJ/mol
Flash Point: 381.1±35.7 °C
Index of Refraction: 1.707
Molar Refractivity: 127.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.33
ACD/BCF (pH 5.5): 34.27
ACD/KOC (pH 5.5): 434.60
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 34.88
ACD/KOC (pH 7.4): 442.31
Polar Surface Area: 109 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 59.9±7.0 dyne/cm
Molar Volume: 328.4±7.0 cm3

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