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Search term: YMQIUGBQNYUQQH-UHFFFAOYAA (Found by InChIKey (full match))
ChemSpider 2D Image | 3-{[(4-Ethylbenzoyl)(isobutyl)amino]methyl}phenyl 3-(trifluoromethyl)benzenesulfonate | C27H28F3NO4S

3-{[(4-Ethylbenzoyl)(isobutyl)amino]methyl}phenyl 3-(trifluoromethyl)benzenesulfonate

  • Molecular FormulaC27H28F3NO4S
  • Average mass519.576 Da
  • Monoisotopic mass519.169128 Da
  • ChemSpider ID3344800

More details:

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

3-(Trifluorométhyl)benzènesulfonate de 3-{[(4-éthylbenzoyl)(isobutyl)amino]méthyl}phényle [French] [ACD/IUPAC Name]
3-{[(4-Ethylbenzoyl)(isobutyl)amino]methyl}phenyl 3-(trifluoromethyl)benzenesulfonate [ACD/IUPAC Name]
3-{[(4-Ethylbenzoyl)(isobutyl)amino]methyl}phenyl-3-(trifluormethyl)benzolsulfonat [German] [ACD/IUPAC Name]
Benzenesulfonic acid, 3-(trifluoromethyl)-, 3-[[(4-ethylbenzoyl)(2-methylpropyl)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: 635.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 338.2±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 132.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.36
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 26871.67
ACD/KOC (pH 5.5): 51531.62
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 26871.67
ACD/KOC (pH 7.4): 51531.62
Polar Surface Area: 72 Å2
Polarizability: 52.6±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 415.3±3.0 cm3

Click to predict properties on the Chemicalize site


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