ChemSpider 2D Image | 1-(3,4-Dimethoxyphenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-6,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione | C27H27N3O5S

1-(3,4-Dimethoxyphenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-6,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione

  • Molecular FormulaC27H27N3O5S
  • Average mass505.585 Da
  • Monoisotopic mass505.167145 Da
  • ChemSpider ID11911841

More details:






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

[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 1-(3,4-dimethoxyphenyl)-1,2-dihydro-6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
1-(3,4-Dimethoxyphenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-6,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrol-3,9-dion [German] [ACD/IUPAC Name]
1-(3,4-Dimethoxyphenyl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-6,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione [ACD/IUPAC Name]
1-(3,4-Diméthoxyphényl)-2-(5-isobutyl-1,3,4-thiadiazol-2-yl)-6,7-diméthyl-1,2-dihydrochroméno[2,3-c]pyrrole-3,9-dione [French] [ACD/IUPAC Name]
1-(3,4-dimethoxyphenyl)-6,7-dimethyl-2-[5-(2-methylpropyl)(1,3,4-thiadiazol-2-yl)]chromeno[2,3-c]3-pyrroline-3,9-dione
1-(3,4-dimethoxyphenyl)-6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
1-(3,4-dimethoxyphenyl)-6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
1-(3,4-dimethoxyphenyl)-6,7-dimethyl-2-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 667.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.1±3.0 kJ/mol
Flash Point: 357.4±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.86
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1344.10
ACD/KOC (pH 5.5): 6038.45
ACD/LogD (pH 7.4): 4.42
ACD/BCF (pH 7.4): 1344.15
ACD/KOC (pH 7.4): 6038.69
Polar Surface Area: 119 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 66.2±5.0 dyne/cm
Molar Volume: 368.9±5.0 cm3

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