ChemSpider 2D Image | N-(2,6-Diethylphenyl)-2-[4-({3-[(trifluoromethyl)sulfanyl]phenyl}acetyl)-1,4-diazepan-1-yl]acetamide | C26H32F3N3O2S

N-(2,6-Diethylphenyl)-2-[4-({3-[(trifluoromethyl)sulfanyl]phenyl}acetyl)-1,4-diazepan-1-yl]acetamide

  • Molecular FormulaC26H32F3N3O2S
  • Average mass507.611 Da
  • Monoisotopic mass507.216736 Da
  • ChemSpider ID3082358

More details:

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

1H-1,4-Diazepine-1-acetamide, N-(2,6-diethylphenyl)hexahydro-4-[2-[3-[(trifluoromethyl)thio]phenyl]acetyl]- [ACD/Index Name]
N-(2,6-Diethylphenyl)-2-[4-({3-[(trifluormethyl)sulfanyl]phenyl}acetyl)-1,4-diazepan-1-yl]acetamid [German] [ACD/IUPAC Name]
N-(2,6-Diethylphenyl)-2-[4-({3-[(trifluoromethyl)sulfanyl]phenyl}acetyl)-1,4-diazepan-1-yl]acetamide [ACD/IUPAC Name]
N-(2,6-Diéthylphényl)-2-[4-(2-{3-[(trifluorométhyl)sulfanyl]phényl}acétyl)-1,4-diazépan-1-yl]acétamide [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: 611.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.6±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 134.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2080.17
ACD/KOC (pH 5.5): 7497.42
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2903.38
ACD/KOC (pH 7.4): 10464.47
Polar Surface Area: 78 Å2
Polarizability: 53.2±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 401.0±5.0 cm3

Click to predict properties on the Chemicalize site


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