ChemSpider 2D Image | trans-N-Ethyl-4-[(4-{4-[4-(methylsulfonyl)-1-piperidinyl]-1H-indol-1-yl}-2-pyrimidinyl)amino]cyclohexanecarboxamide | C27H36N6O3S

trans-N-Ethyl-4-[(4-{4-[4-(methylsulfonyl)-1-piperidinyl]-1H-indol-1-yl}-2-pyrimidinyl)amino]cyclohexanecarboxamide

  • Molecular FormulaC27H36N6O3S
  • Average mass524.678 Da
  • Monoisotopic mass524.256958 Da
  • ChemSpider ID34954021

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclohexanecarboxamide, N-ethyl-4-[[4-[4-[4-(methylsulfonyl)-1-piperidinyl]-1H-indol-1-yl]-2-pyrimidinyl]amino]-, trans- [ACD/Index Name]
trans-N-Ethyl-4-[(4-{4-[4-(methylsulfonyl)-1-piperidinyl]-1H-indol-1-yl}-2-pyrimidinyl)amino]cyclohexancarboxamid [German] [ACD/IUPAC Name]
trans-N-Ethyl-4-[(4-{4-[4-(methylsulfonyl)-1-piperidinyl]-1H-indol-1-yl}-2-pyrimidinyl)amino]cyclohexanecarboxamide [ACD/IUPAC Name]
trans-N-Éthyl-4-[(4-{4-[4-(méthylsulfonyl)-1-pipéridinyl]-1H-indol-1-yl}-2-pyrimidinyl)amino]cyclohexanecarboxamide [French] [ACD/IUPAC Name]
US8536172, 23

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.685
Molar Refractivity: 144.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.04
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.22
ACD/KOC (pH 5.5): 725.85
ACD/LogD (pH 7.4): 2.74
ACD/BCF (pH 7.4): 71.61
ACD/KOC (pH 7.4): 740.24
Polar Surface Area: 118 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 56.3±7.0 dyne/cm
Molar Volume: 380.3±7.0 cm3

Click to predict properties on the Chemicalize site


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