ChemSpider 2D Image | 7-Bromo-1-(3,4-diethoxyphenyl)-2-(1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione | C23H18BrN3O5S

7-Bromo-1-(3,4-diethoxyphenyl)-2-(1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

  • Molecular FormulaC23H18BrN3O5S
  • Average mass528.375 Da
  • Monoisotopic mass527.015076 Da
  • ChemSpider ID3898600

More details:

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

[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 7-bromo-1-(3,4-diethoxyphenyl)-1,2-dihydro-2-(1,3,4-thiadiazol-2-yl)- [ACD/Index Name]
7-Brom-1-(3,4-diethoxyphenyl)-2-(1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrol-3,9-dion [German] [ACD/IUPAC Name]
7-Bromo-1-(3,4-diethoxyphenyl)-2-(1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione [ACD/IUPAC Name]
7-Bromo-1-(3,4-diéthoxyphényl)-2-(1,3,4-thiadiazol-2-yl)-1,2-dihydrochroméno[2,3-c]pyrrole-3,9-dione [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 644.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.6±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 124.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 464.31
ACD/KOC (pH 5.5): 2821.66
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 464.32
ACD/KOC (pH 7.4): 2821.69
Polar Surface Area: 119 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 317.9±5.0 cm3

Click to predict properties on the Chemicalize site


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