ChemSpider 2D Image | N,N-Diethyl-2-(4-oxo-1-phenyl-8-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,3,8-triazaspiro[4.5]dec-3-yl)acetamide | C26H31F3N4O4S

N,N-Diethyl-2-(4-oxo-1-phenyl-8-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,3,8-triazaspiro[4.5]dec-3-yl)acetamide

  • Molecular FormulaC26H31F3N4O4S
  • Average mass552.609 Da
  • Monoisotopic mass552.201782 Da
  • ChemSpider ID4258715

More details:

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

1,3,8-Triazaspiro[4.5]decane-3-acetamide, N,N-diethyl-4-oxo-1-phenyl-8-[[3-(trifluoromethyl)phenyl]sulfonyl]- [ACD/Index Name]
N,N-Diethyl-2-(4-oxo-1-phenyl-8-{[3-(trifluormethyl)phenyl]sulfonyl}-1,3,8-triazaspiro[4.5]dec-3-yl)acetamid [German] [ACD/IUPAC Name]
N,N-Diethyl-2-(4-oxo-1-phenyl-8-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,3,8-triazaspiro[4.5]dec-3-yl)acetamide [ACD/IUPAC Name]
N,N-Diéthyl-2-(4-oxo-1-phényl-8-{[3-(trifluorométhyl)phényl]sulfonyl}-1,3,8-triazaspiro[4.5]déc-3-yl)acétamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 703.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.4±35.7 °C
Index of Refraction: 1.614
Molar Refractivity: 137.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 420.57
ACD/KOC (pH 5.5): 2628.71
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 420.57
ACD/KOC (pH 7.4): 2628.73
Polar Surface Area: 90 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 393.6±5.0 cm3

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