Found 121 results

Search term: MF = 'C_{26}H_{19}F_{3}N_{2}O_{4}S'
ChemSpider 2D Image | Methyl 3-({4-[(4-methylphenyl)sulfanyl]-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate | C26H19F3N2O4S

Methyl 3-({4-[(4-methylphenyl)sulfanyl]-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate

  • Molecular FormulaC26H19F3N2O4S
  • Average mass512.500 Da
  • Monoisotopic mass512.101746 Da
  • ChemSpider ID60070827

More details:

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

3-({4-[(4-Méthylphényl)sulfanyl]-2,5-dioxo-1-[3-(trifluorométhyl)phényl]-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[2,5-dihydro-4-[(4-methylphenyl)thio]-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl]amino]-, methyl ester [ACD/Index Name]
Methyl 3-({4-[(4-methylphenyl)sulfanyl]-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoate [ACD/IUPAC Name]
Methyl-3-({4-[(4-methylphenyl)sulfanyl]-2,5-dioxo-1-[3-(trifluormethyl)phenyl]-2,5-dihydro-1H-pyrrol-3-yl}amino)benzoat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 591.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 311.2±30.1 °C
Index of Refraction: 1.651
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 3083.44
ACD/KOC (pH 5.5): 10940.72
ACD/LogD (pH 7.4): 4.89
ACD/BCF (pH 7.4): 3083.44
ACD/KOC (pH 7.4): 10940.72
Polar Surface Area: 101 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 352.3±5.0 cm3

Click to predict properties on the Chemicalize site


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