Found 121 results

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

Propyl 3-{[2,5-dioxo-4-(phenylsulfanyl)-1-(2,3,4-trifluorophenyl)-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate

  • Molecular FormulaC26H19F3N2O4S
  • Average mass512.500 Da
  • Monoisotopic mass512.101746 Da
  • ChemSpider ID60070315

More details:

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

3-{[2,5-Dioxo-4-(phénylsulfanyl)-1-(2,3,4-trifluorophényl)-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate de propyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[2,5-dihydro-2,5-dioxo-4-(phenylthio)-1-(2,3,4-trifluorophenyl)-1H-pyrrol-3-yl]amino]-, propyl ester [ACD/Index Name]
Propyl 3-{[2,5-dioxo-4-(phenylsulfanyl)-1-(2,3,4-trifluorophenyl)-2,5-dihydro-1H-pyrrol-3-yl]amino}benzoate [ACD/IUPAC Name]
Propyl-3-{[2,5-dioxo-4-(phenylsulfanyl)-1-(2,3,4-trifluorphenyl)-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: 599.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.6±30.1 °C
Index of Refraction: 1.653
Molar Refractivity: 128.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.98
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2466.24
ACD/KOC (pH 5.5): 9324.27
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2466.24
ACD/KOC (pH 7.4): 9324.27
Polar Surface Area: 101 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 351.4±5.0 cm3

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