ChemSpider 2D Image | 3-{[2-({2-[(4-Fluorophenyl)sulfonyl]-2-(2-furyl)ethyl}amino)-2-oxo-1-phenylethyl]carbamoyl}phenyl acetate | C29H25FN2O7S

3-{[2-({2-[(4-Fluorophenyl)sulfonyl]-2-(2-furyl)ethyl}amino)-2-oxo-1-phenylethyl]carbamoyl}phenyl acetate

  • Molecular FormulaC29H25FN2O7S
  • Average mass564.581 Da
  • Monoisotopic mass564.136658 Da
  • ChemSpider ID120995891

More details:

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

3-{[2-({2-[(4-Fluorophenyl)sulfonyl]-2-(2-furyl)ethyl}amino)-2-oxo-1-phenylethyl]carbamoyl}phenyl acetate [ACD/IUPAC Name]
3-{[2-({2-[(4-Fluorphenyl)sulfonyl]-2-(2-furyl)ethyl}amino)-2-oxo-1-phenylethyl]carbamoyl}phenyl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-{[2-({2-[(4-fluorophényl)sulfonyl]-2-(2-furyl)éthyl}amino)-2-oxo-1-phényléthyl]carbamoyl}phényle [French] [ACD/IUPAC Name]
Benzeneacetamide, α-[[3-(acetyloxy)benzoyl]amino]-N-[2-[(4-fluorophenyl)sulfonyl]-2-(2-furanyl)ethyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 814.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 446.1±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 144.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 111.02
ACD/KOC (pH 5.5): 1013.22
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 111.02
ACD/KOC (pH 7.4): 1013.20
Polar Surface Area: 140 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 418.9±3.0 cm3

Click to predict properties on the Chemicalize site


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