ChemSpider 2D Image | 3-({(2-Methoxyethyl)[4-(2-methyl-2-propanyl)benzoyl]amino}methyl)phenyl 3-(trifluoromethyl)benzenesulfonate | C28H30F3NO5S

3-({(2-Methoxyethyl)[4-(2-methyl-2-propanyl)benzoyl]amino}methyl)phenyl 3-(trifluoromethyl)benzenesulfonate

  • Molecular FormulaC28H30F3NO5S
  • Average mass549.602 Da
  • Monoisotopic mass549.179688 Da
  • ChemSpider ID3866026

More details:

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

3-({(2-Methoxyethyl)[4-(2-methyl-2-propanyl)benzoyl]amino}methyl)phenyl 3-(trifluoromethyl)benzenesulfonate [ACD/IUPAC Name]
3-({(2-Methoxyethyl)[4-(2-methyl-2-propanyl)benzoyl]amino}methyl)phenyl-3-(trifluormethyl)benzolsulfonat [German] [ACD/IUPAC Name]
3-(Trifluorométhyl)benzènesulfonate de 3-({(2-méthoxyéthyl)[4-(2-méthyl-2-propanyl)benzoyl]amino}méthyl)phényle [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 3-(trifluoromethyl)-, 3-[[[4-(1,1-dimethylethyl)benzoyl](2-methoxyethyl)amino]methyl]phenyl ester [ACD/Index 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: 653.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 348.7±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 139.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.67
ACD/LogD (pH 5.5): 5.72
ACD/BCF (pH 5.5): 12979.91
ACD/KOC (pH 5.5): 30610.36
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 12979.91
ACD/KOC (pH 7.4): 30610.36
Polar Surface Area: 81 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 438.7±3.0 cm3

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