ChemSpider 2D Image | 2-({2-[(3,4-Difluorophenyl)amino]-2-oxoethyl}amino)-2-oxoethyl 4-[(difluoromethyl)sulfanyl]benzoate | C18H14F4N2O4S

2-({2-[(3,4-Difluorophenyl)amino]-2-oxoethyl}amino)-2-oxoethyl 4-[(difluoromethyl)sulfanyl]benzoate

  • Molecular FormulaC18H14F4N2O4S
  • Average mass430.373 Da
  • Monoisotopic mass430.061035 Da
  • ChemSpider ID33123096

More details:

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

2-({2-[(3,4-Difluorophenyl)amino]-2-oxoethyl}amino)-2-oxoethyl 4-[(difluoromethyl)sulfanyl]benzoate [ACD/IUPAC Name]
2-({2-[(3,4-Difluorphenyl)amino]-2-oxoethyl}amino)-2-oxoethyl-4-[(difluormethyl)sulfanyl]benzoat [German] [ACD/IUPAC Name]
4-[(Difluorométhyl)sulfanyl]benzoate de 2-({2-[(3,4-difluorophényl)amino]-2-oxoéthyl}amino)-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(difluoromethyl)thio]-, 2-[[2-[(3,4-difluorophenyl)amino]-2-oxoethyl]amino]-2-oxoethyl ester [ACD/Index 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: 646.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 344.9±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 97.1±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 115.28
ACD/KOC (pH 5.5): 1040.90
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 115.26
ACD/KOC (pH 7.4): 1040.72
Polar Surface Area: 110 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 52.9±5.0 dyne/cm
Molar Volume: 293.6±5.0 cm3

Click to predict properties on the Chemicalize site


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