ChemSpider 2D Image | 2-(4-Cyanophenoxy)ethyl 2-[(2-{[2-(difluoromethoxy)phenyl]amino}-2-oxoethyl)sulfanyl]nicotinate | C24H19F2N3O5S

2-(4-Cyanophenoxy)ethyl 2-[(2-{[2-(difluoromethoxy)phenyl]amino}-2-oxoethyl)sulfanyl]nicotinate

  • Molecular FormulaC24H19F2N3O5S
  • Average mass499.487 Da
  • Monoisotopic mass499.101349 Da
  • ChemSpider ID30633039

More details:

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

2-(4-Cyanophenoxy)ethyl 2-[(2-{[2-(difluoromethoxy)phenyl]amino}-2-oxoethyl)sulfanyl]nicotinate [ACD/IUPAC Name]
2-(4-Cyanphenoxy)ethyl-2-[(2-{[2-(difluormethoxy)phenyl]amino}-2-oxoethyl)sulfanyl]nicotinat [German] [ACD/IUPAC Name]
2-[(2-{[2-(Difluorométhoxy)phényl]amino}-2-oxoéthyl)sulfanyl]nicotinate de 2-(4-cyanophénoxy)éthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 2-[[2-[[2-(difluoromethoxy)phenyl]amino]-2-oxoethyl]thio]-, 2-(4-cyanophenoxy)ethyl ester [ACD/Index 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: 695.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.3±31.5 °C
Index of Refraction: 1.619
Molar Refractivity: 123.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 982.99
ACD/KOC (pH 5.5): 4826.88
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 982.98
ACD/KOC (pH 7.4): 4826.82
Polar Surface Area: 136 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 64.6±5.0 dyne/cm
Molar Volume: 352.6±5.0 cm3

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