ChemSpider 2D Image | 3-(5-Fluoro-6-iodo-1-methyl-1H-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1H-pyrrole-2,5-dione | C22H14FIN2O4

3-(5-Fluoro-6-iodo-1-methyl-1H-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1H-pyrrole-2,5-dione

  • Molecular FormulaC22H14FIN2O4
  • Average mass516.260 Da
  • Monoisotopic mass515.998230 Da
  • ChemSpider ID24719472

More details:

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

1H-Pyrrole-2,5-dione, 3-(5-fluoro-6-iodo-1-methyl-1H-indol-3-yl)-4-(7-methoxy-3-benzofuranyl)- [ACD/Index Name]
3-(5-Fluor-6-iod-1-methyl-1H-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1H-pyrrol-2,5-dion [German] [ACD/IUPAC Name]
3-(5-Fluoro-6-iodo-1-methyl-1H-indol-3-yl)-4-(7-methoxy-1-benzofuran-3-yl)-1H-pyrrole-2,5-dione [ACD/IUPAC Name]
3-(5-Fluoro-6-iodo-1-méthyl-1H-indol-3-yl)-4-(7-méthoxy-1-benzofuran-3-yl)-1H-pyrrole-2,5-dione [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL523435/
TSK

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

Density: 1.8±0.1 g/cm3
Boiling Point: 684.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.6±31.5 °C
Index of Refraction: 1.737
Molar Refractivity: 114.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 788.50
ACD/KOC (pH 5.5): 4099.27
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 315.06
ACD/KOC (pH 7.4): 1637.94
Polar Surface Area: 73 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 285.8±7.0 cm3

Click to predict properties on the Chemicalize site


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