ChemSpider 2D Image | 8-[4-Cyano-3-(trifluoromethyl)phenyl]-N-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-4-carboxamide | C23H27F3N6O

8-[4-Cyano-3-(trifluoromethyl)phenyl]-N-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-4-carboxamide

  • Molecular FormulaC23H27F3N6O
  • Average mass460.495 Da
  • Monoisotopic mass460.219849 Da
  • ChemSpider ID71282277

More details:

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

2,8-Diazaspiro[4.5]decane-4-carboxamide, 8-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methyl]- [ACD/Index Name]
8-[4-Cyan-3-(trifluormethyl)phenyl]-N-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-4-carboxamid [German] [ACD/IUPAC Name]
8-[4-Cyano-3-(trifluoromethyl)phenyl]-N-methyl-2-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-4-carboxamide [ACD/IUPAC Name]
8-[4-Cyano-3-(trifluorométhyl)phényl]-N-méthyl-2-[(1-méthyl-1H-pyrazol-4-yl)méthyl]-2,8-diazaspiro[4.5]décane-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 669.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.9±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 119.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.53
ACD/LogD (pH 7.4): 2.21
ACD/BCF (pH 7.4): 24.51
ACD/KOC (pH 7.4): 291.12
Polar Surface Area: 77 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 342.0±7.0 cm3

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