ChemSpider 2D Image | trans-N-{1-[4-(3-Amino-1H-indazol-6-yl)-2-pyridinyl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide | C28H32N6O

trans-N-{1-[4-(3-Amino-1H-indazol-6-yl)-2-pyridinyl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide

  • Molecular FormulaC28H32N6O
  • Average mass468.593 Da
  • Monoisotopic mass468.263763 Da
  • ChemSpider ID58988373

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Cyclohexanecarboxamide, N-[1-[4-(3-amino-1H-indazol-6-yl)-2-pyridinyl]-2-phenylethyl]-4-(aminomethyl)-, trans- [ACD/Index Name]
trans-N-{1-[4-(3-Amino-1H-indazol-6-yl)-2-pyridinyl]-2-phenylethyl}-4-(aminomethyl)cyclohexancarboxamid [German] [ACD/IUPAC Name]
trans-N-{1-[4-(3-Amino-1H-indazol-6-yl)-2-pyridinyl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide [ACD/IUPAC Name]
trans-N-{1-[4-(3-Amino-1H-indazol-6-yl)-2-pyridinyl]-2-phényléthyl}-4-(aminométhyl)cyclohexanecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 775.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 422.6±32.9 °C
Index of Refraction: 1.664
Molar Refractivity: 139.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.51
Polar Surface Area: 123 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 63.7±3.0 dyne/cm
Molar Volume: 376.4±3.0 cm3

Click to predict properties on the Chemicalize site


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