ChemSpider 2D Image | 1-(3-Bromo-4-hydroxy-5-methoxyphenyl)-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione | C23H18BrN3O5S

1-(3-Bromo-4-hydroxy-5-methoxyphenyl)-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

  • Molecular FormulaC23H18BrN3O5S
  • Average mass528.375 Da
  • Monoisotopic mass527.015076 Da
  • ChemSpider ID2226923

More details:

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

[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2-dihydro-7-methyl- [ACD/Index Name]
1-(3-Brom-4-hydroxy-5-methoxyphenyl)-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrol-3,9-dion [German] [ACD/IUPAC Name]
1-(3-Bromo-4-hydroxy-5-methoxyphenyl)-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione [ACD/IUPAC Name]
1-(3-Bromo-4-hydroxy-5-méthoxyphényl)-2-(5-éthyl-1,3,4-thiadiazol-2-yl)-7-méthyl-1,2-dihydrochroméno[2,3-c]pyrrole-3,9-dione [French] [ACD/IUPAC Name]
1-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-(5-ethyl-1,3,4-thiadiazol-2-yl)-7-methyl-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

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

Density: 1.7±0.1 g/cm3
Boiling Point: 654.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 349.6±34.3 °C
Index of Refraction: 1.736
Molar Refractivity: 123.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 467.67
ACD/KOC (pH 5.5): 2834.39
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 396.91
ACD/KOC (pH 7.4): 2405.54
Polar Surface Area: 130 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 87.7±5.0 dyne/cm
Molar Volume: 308.3±5.0 cm3

Click to predict properties on the Chemicalize site


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