ChemSpider 2D Image | Methyl 2,4-difluoro-5-({3-[(phenylsulfanyl)methyl]-2-furoyl}amino)benzoate | C20H15F2NO4S

Methyl 2,4-difluoro-5-({3-[(phenylsulfanyl)methyl]-2-furoyl}amino)benzoate

  • Molecular FormulaC20H15F2NO4S
  • Average mass403.399 Da
  • Monoisotopic mass403.068970 Da
  • ChemSpider ID31422055

More details:

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

2,4-Difluoro-5-({3-[(phénylsulfanyl)méthyl]-2-furoyl}amino)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2,4-difluoro-5-[[[3-[(phenylthio)methyl]-2-furanyl]carbonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 2,4-difluoro-5-({3-[(phenylsulfanyl)methyl]-2-furoyl}amino)benzoate [ACD/IUPAC Name]
Methyl-2,4-difluor-5-({3-[(phenylsulfanyl)methyl]-2-furoyl}amino)benzoat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 465.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 235.4±28.7 °C
Index of Refraction: 1.621
Molar Refractivity: 101.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.46
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1600.33
ACD/KOC (pH 5.5): 6841.78
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1597.72
ACD/KOC (pH 7.4): 6830.60
Polar Surface Area: 94 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 287.3±5.0 cm3

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