ChemSpider 2D Image | MFCD05151087 | C31H25F3N2O4

MFCD05151087

  • Molecular FormulaC31H25F3N2O4
  • Average mass546.536 Da
  • Monoisotopic mass546.176636 Da
  • ChemSpider ID3083778

More details:

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

3-Quinolinecarboxamide, 4-(1,3-benzodioxol-5-yl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-7-phenyl-N-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
4-(1,3-Benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-[3-(trifluormethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-chinolincarboxamid [German] [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-2-méthyl-5-oxo-7-phényl-N-[3-(trifluorométhyl)phényl]-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxamide [French] [ACD/IUPAC Name]
4-(1,3-Benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-N-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide [ACD/IUPAC Name]
MFCD05151087

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

EU-0042599 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 695.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.3±31.5 °C
Index of Refraction: 1.648
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.08
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 12406.45
ACD/KOC (pH 5.5): 29635.76
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 12406.98
ACD/KOC (pH 7.4): 29637.03
Polar Surface Area: 77 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 385.9±5.0 cm3

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