ChemSpider 2D Image | 2-{(1E)-3-[3-({3-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoyl}amino)phenyl]-3-oxo-1-propen-1-yl}benzoic acid | C32H22N2O6

2-{(1E)-3-[3-({3-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoyl}amino)phenyl]-3-oxo-1-propen-1-yl}benzoic acid

  • Molecular FormulaC32H22N2O6
  • Average mass530.527 Da
  • Monoisotopic mass530.147766 Da
  • ChemSpider ID8849133

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{(1E)-3-[3-({3-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoyl}amino)phenyl]-3-oxo-1-propen-1-yl}benzoesäure [German] [ACD/IUPAC Name]
2-{(1E)-3-[3-({3-[(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoyl}amino)phenyl]-3-oxo-1-propen-1-yl}benzoic acid [ACD/IUPAC Name]
Acide 2-{(1E)-3-[3-({3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)méthyl]benzoyl}amino)phényl]-3-oxo-1-propén-1-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[(1E)-3-[3-[[3-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]benzoyl]amino]phenyl]-3-oxo-1-propen-1-yl]- [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: 723.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 391.0±32.9 °C
Index of Refraction: 1.733
Molar Refractivity: 149.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.55
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 30.31
ACD/KOC (pH 5.5): 116.84
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 2.00
ACD/KOC (pH 7.4): 7.70
Polar Surface Area: 121 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 74.3±3.0 dyne/cm
Molar Volume: 372.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement