ChemSpider 2D Image | 1-[3-Ethoxy-4-(pentyloxy)phenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione | C27H27N3O5S

1-[3-Ethoxy-4-(pentyloxy)phenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

  • Molecular FormulaC27H27N3O5S
  • Average mass505.585 Da
  • Monoisotopic mass505.167145 Da
  • ChemSpider ID2816730

More details:

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

[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 1-[3-ethoxy-4-(pentyloxy)phenyl]-1,2-dihydro-2-(5-methyl-1,3,4-thiadiazol-2-yl)- [ACD/Index Name]
1-[3-Ethoxy-4-(pentyloxy)phenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrol-3,9-dion [German] [ACD/IUPAC Name]
1-[3-Ethoxy-4-(pentyloxy)phenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione [ACD/IUPAC Name]
1-[3-Éthoxy-4-(pentyloxy)phényl]-2-(5-méthyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochroméno[2,3-c]pyrrole-3,9-dione [French] [ACD/IUPAC Name]
1-(3-ethoxy-4-pentoxyphenyl)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
1-(3-ethoxy-4-pentyloxyphenyl)-2-(5-methyl(1,3,4-thiadiazol-2-yl))chromeno[2,3-c]3-pyrroline-3,9-dione
1-[3-ethoxy-4-(pentyloxy)phenyl]-2-(5-methyl-1,3,4-thiadiazol-2-yl)-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
620589-20-0 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 645.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.4±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 134.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.18
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2754.46
ACD/KOC (pH 5.5): 10091.71
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2754.64
ACD/KOC (pH 7.4): 10092.37
Polar Surface Area: 119 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 67.4±5.0 dyne/cm
Molar Volume: 369.2±5.0 cm3

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