ChemSpider 2D Image | 5-{[(4-Butylbenzoyl)(tetrahydro-2-furanylmethyl)amino]methyl}-2-methoxyphenyl 4-fluorobenzenesulfonate | C30H34FNO6S

5-{[(4-Butylbenzoyl)(tetrahydro-2-furanylmethyl)amino]methyl}-2-methoxyphenyl 4-fluorobenzenesulfonate

  • Molecular FormulaC30H34FNO6S
  • Average mass555.657 Da
  • Monoisotopic mass555.209106 Da
  • ChemSpider ID110245456

More details:

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

4-Fluorobenzènesulfonate de 5-{[(4-butylbenzoyl)(tétrahydro-2-furanylméthyl)amino]méthyl}-2-méthoxyphényle [French] [ACD/IUPAC Name]
5-{[(4-Butylbenzoyl)(tetrahydro-2-furanylmethyl)amino]methyl}-2-methoxyphenyl 4-fluorobenzenesulfonate [ACD/IUPAC Name]
5-{[(4-Butylbenzoyl)(tetrahydro-2-furanylmethyl)amino]methyl}-2-methoxyphenyl-4-fluorbenzolsulfonat [German] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-fluoro-, 5-[[(4-butylbenzoyl)[(tetrahydro-2-furanyl)methyl]amino]methyl]-2-methoxyphenyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 721.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.1±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6289.37
ACD/KOC (pH 5.5): 18223.61
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6289.37
ACD/KOC (pH 7.4): 18223.61
Polar Surface Area: 91 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 448.9±3.0 cm3

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