ChemSpider 2D Image | N-[(2S)-2-Cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy](~2~H_5_)-2-propanyl]-4-[(trifluoromethyl)sulfanyl]benzamide | C20H8D5F6N3O2S

N-[(2S)-2-Cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy](2H5)-2-propanyl]-4-[(trifluoromethyl)sulfanyl]benzamide

  • Molecular FormulaC20H8D5F6N3O2S
  • Average mass478.422 Da
  • Monoisotopic mass478.094635 Da
  • ChemSpider ID114392497

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

Benzamide, N-[(1S)-1-cyano-1-[[5-cyano-2-(trifluoromethyl)phenoxy]methyl-d2]ethyl-2,2,2-d3]-4-[(trifluoromethyl)thio]- [ACD/Index Name]
N-[(2S)-2-Cyan-1-[5-cyan-2-(trifluormethyl)phenoxy](2H5)-2-propanyl]-4-[(trifluormethyl)sulfanyl]benzamid [German] [ACD/IUPAC Name]
N-[(2S)-2-Cyano-1-[5-cyano-2-(trifluoromethyl)phenoxy](2H5)-2-propanyl]-4-[(trifluoromethyl)sulfanyl]benzamide [ACD/IUPAC Name]
N-[(2S)-2-Cyano-1-[5-cyano-2-(trifluorométhyl)phénoxy](2H5)-2-propanyl]-4-[(trifluorométhyl)sulfanyl]benzamide [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: 554.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 289.3±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 102.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4127.13
ACD/KOC (pH 5.5): 13479.43
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4119.22
ACD/KOC (pH 7.4): 13453.59
Polar Surface Area: 111 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 322.3±5.0 cm3

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