ChemSpider 2D Image | 8-[4-Cyano-3-(trifluoromethyl)phenyl]-2-(5-pyrimidinylcarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxamide | C22H21F3N6O2

8-[4-Cyano-3-(trifluoromethyl)phenyl]-2-(5-pyrimidinylcarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

  • Molecular FormulaC22H21F3N6O2
  • Average mass458.436 Da
  • Monoisotopic mass458.167816 Da
  • ChemSpider ID71066386

More details:

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

2,8-Diazaspiro[4.5]decane-3-carboxamide, 8-[4-cyano-3-(trifluoromethyl)phenyl]-2-(5-pyrimidinylcarbonyl)- [ACD/Index Name]
8-[4-Cyan-3-(trifluormethyl)phenyl]-2-(5-pyrimidinylcarbonyl)-2,8-diazaspiro[4.5]decan-3-carboxamid [German] [ACD/IUPAC Name]
8-[4-Cyano-3-(trifluoromethyl)phenyl]-2-(5-pyrimidinylcarbonyl)-2,8-diazaspiro[4.5]decane-3-carboxamide [ACD/IUPAC Name]
8-[4-Cyano-3-(trifluorométhyl)phényl]-2-(5-pyrimidinylcarbonyl)-2,8-diazaspiro[4.5]décane-3-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 735.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 398.7±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 110.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.47
ACD/LogD (pH 5.5): 1.54
ACD/BCF (pH 5.5): 8.77
ACD/KOC (pH 5.5): 164.50
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 8.81
ACD/KOC (pH 7.4): 165.25
Polar Surface Area: 116 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 70.5±5.0 dyne/cm
Molar Volume: 313.0±5.0 cm3

Click to predict properties on the Chemicalize site


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