ChemSpider 2D Image | Granotapide | C39H37F3N2O8

Granotapide

  • Molecular FormulaC39H37F3N2O8
  • Average mass718.715 Da
  • Monoisotopic mass718.250183 Da
  • ChemSpider ID9782055

More details:

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

({2-[3-(Diméthylcarbamoyl)-4-({[4'-(trifluorométhyl)-2-biphénylyl]carbonyl}amino)phényl]acétoxy}méthyl)(phényl)malonate de diéthyle [French] [ACD/IUPAC Name]
594842-13-4 [RN]
Diethyl ({2-[3-(dimethylcarbamoyl)-4-({[4'-(trifluoromethyl)-2-biphenylyl]carbonyl}amino)phenyl]acetoxy}methyl)(phenyl)malonate [ACD/IUPAC Name]
Diethyl-({2-[3-(dimethylcarbamoyl)-4-({[4'-(trifluormethyl)-2-biphenylyl]carbonyl}amino)phenyl]acetoxy}methyl)(phenyl)malonat [German] [ACD/IUPAC Name]
Granotapida [Spanish] [INN]
Granotapide [INN]
Granotapide [French] [INN]
Granotapidum [Latin] [INN]
Propanedioic acid, 2-[[[2-[3-[(dimethylamino)carbonyl]-4-[[[4'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]carbonyl]amino]phenyl]acetyl]oxy]methyl]-2-phenyl-, diethyl ester [ACD/Index Name]
PSZ2YGB0DK
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9378 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 692.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.8±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 184.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 7.80
ACD/LogD (pH 5.5): 7.37
ACD/BCF (pH 5.5): 234904.89
ACD/KOC (pH 5.5): 243253.88
ACD/LogD (pH 7.4): 7.37
ACD/BCF (pH 7.4): 234903.34
ACD/KOC (pH 7.4): 243252.27
Polar Surface Area: 128 Å2
Polarizability: 73.3±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 559.3±3.0 cm3

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