ChemSpider 2D Image | Butyl 2-{[5-(diethylamino)-2-{[isopropyl(isopropylcarbamoyl)amino]methyl}phenoxy]sulfonyl}benzoate | C29H43N3O6S

Butyl 2-{[5-(diethylamino)-2-{[isopropyl(isopropylcarbamoyl)amino]methyl}phenoxy]sulfonyl}benzoate

  • Molecular FormulaC29H43N3O6S
  • Average mass561.733 Da
  • Monoisotopic mass561.287231 Da
  • ChemSpider ID29245569

More details:

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

2-{[5-(Diéthylamino)-2-{[isopropyl(isopropylcarbamoyl)amino]méthyl}phénoxy]sulfonyl}benzoate de butyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[5-(diethylamino)-2-[[(1-methylethyl)[[(1-methylethyl)amino]carbonyl]amino]methyl]phenoxy]sulfonyl]-, butyl ester [ACD/Index Name]
Butyl 2-{[5-(diethylamino)-2-{[isopropyl(isopropylcarbamoyl)amino]methyl}phenoxy]sulfonyl}benzoate [ACD/IUPAC Name]
Butyl-2-{[5-(diethylamino)-2-{[isopropyl(isopropylcarbamoyl)amino]methyl}phenoxy]sulfonyl}benzoat [German] [ACD/IUPAC 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: 725.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.6±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 154.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.75
ACD/LogD (pH 5.5): 5.73
ACD/BCF (pH 5.5): 12968.90
ACD/KOC (pH 5.5): 29387.23
ACD/LogD (pH 7.4): 5.79
ACD/BCF (pH 7.4): 14909.21
ACD/KOC (pH 7.4): 33783.95
Polar Surface Area: 114 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 487.3±3.0 cm3

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