ChemSpider 2D Image | 1-(4-Butoxy-3-methoxyphenyl)-2-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione | C27H27N3O5S

1-(4-Butoxy-3-methoxyphenyl)-2-(5-isopropyl-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 ID4173540

More details:






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

[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 1-(4-butoxy-3-methoxyphenyl)-1,2-dihydro-2-[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]- [ACD/Index Name]
1-(4-Butoxy-3-methoxyphenyl)-2-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrol-3,9-dion [German] [ACD/IUPAC Name]
1-(4-Butoxy-3-methoxyphenyl)-2-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione [ACD/IUPAC Name]
1-(4-Butoxy-3-méthoxyphényl)-2-(5-isopropyl-1,3,4-thiadiazol-2-yl)-1,2-dihydrochroméno[2,3-c]pyrrole-3,9-dione [French] [ACD/IUPAC Name]
1-(4-butoxy-3-methoxyphenyl)-2-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
1-(4-butoxy-3-methoxyphenyl)-2-[5-(methylethyl)(1,3,4-thiadiazol-2-yl)]chromeno[2,3-c]3-pyrroline-3,9-dione
1-(4-butoxy-3-methoxyphenyl)-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
1-(4-butoxy-3-methoxyphenyl)-2-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1H,2H,3H,9H-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: 641.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 341.5±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 134.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 4.31
ACD/BCF (pH 5.5): 1102.99
ACD/KOC (pH 5.5): 5241.63
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1103.05
ACD/KOC (pH 7.4): 5241.89
Polar Surface Area: 119 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 66.5±5.0 dyne/cm
Molar Volume: 369.8±5.0 cm3

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