ChemSpider 2D Image | Phenyl [3-(dimethylcarbamoyl)-4-({[4'-(trifluoromethyl)-2-biphenylyl]carbonyl}amino)phenyl]acetate | C31H25F3N2O4

Phenyl [3-(dimethylcarbamoyl)-4-({[4'-(trifluoromethyl)-2-biphenylyl]carbonyl}amino)phenyl]acetate

  • Molecular FormulaC31H25F3N2O4
  • Average mass546.536 Da
  • Monoisotopic mass546.176636 Da
  • ChemSpider ID9744998

More details:

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

[3-(Diméthylcarbamoyl)-4-({[4'-(trifluorométhyl)-2-biphénylyl]carbonyl}amino)phényl]acétate de phényle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-[(dimethylamino)carbonyl]-4-[[[4'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]carbonyl]amino]-, phenyl ester [ACD/Index Name]
Phenyl [3-(dimethylcarbamoyl)-4-({[4'-(trifluoromethyl)-2-biphenylyl]carbonyl}amino)phenyl]acetate [ACD/IUPAC Name]
Phenyl-[3-(dimethylcarbamoyl)-4-({[4'-(trifluormethyl)-2-biphenylyl]carbonyl}amino)phenyl]acetat [German] [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: 644.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.5±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 144.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17555.01
ACD/KOC (pH 5.5): 37995.23
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17554.89
ACD/KOC (pH 7.4): 37994.98
Polar Surface Area: 76 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 420.7±3.0 cm3

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