ChemSpider 2D Image | 4-{[2-(Benzoylamino)-3-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)acryloyl]amino}butanoic acid | C27H26N2O7S

4-{[2-(Benzoylamino)-3-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)acryloyl]amino}butanoic acid

  • Molecular FormulaC27H26N2O7S
  • Average mass522.570 Da
  • Monoisotopic mass522.146057 Da
  • ChemSpider ID2395079

More details:

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

4-{[2-(Benzoylamino)-3-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)acryloyl]amino}butanoic acid [ACD/IUPAC Name]
4-{[2-(Benzoylamino)-3-(4-{[(4-methylphenyl)sulfonyl]oxy}phenyl)acryloyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide 4-{[2-(benzoylamino)-3-(4-{[(4-méthylphényl)sulfonyl]oxy}phényl)acryloyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-(benzoylamino)-3-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]-1-oxo-2-propen-1-yl]amino]- [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: 858.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.7±3.0 kJ/mol
Flash Point: 472.8±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 137.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 8.88
ACD/KOC (pH 5.5): 87.83
ACD/LogD (pH 7.4): 0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.38
Polar Surface Area: 147 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 391.5±3.0 cm3

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