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Search term: HTGUMJGSSFNCBQ-UHFFFAOYAH (Found by InChIKey (full match))
ChemSpider 2D Image | 2-(5-Ethyl-1,3,4-thiadiazol-2-yl)-1-[4-(hexyloxy)phenyl]-6,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione | C29H31N3O4S

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

  • Molecular FormulaC29H31N3O4S
  • Average mass517.639 Da
  • Monoisotopic mass517.203552 Da
  • ChemSpider ID3894688

More details:

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

[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 2-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-[4-(hexyloxy)phenyl]-1,2-dihydro-6,7-dimethyl- [ACD/Index Name]
2-(5-Ethyl-1,3,4-thiadiazol-2-yl)-1-[4-(hexyloxy)phenyl]-6,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrol-3,9-dion [German] [ACD/IUPAC Name]
2-(5-Ethyl-1,3,4-thiadiazol-2-yl)-1-[4-(hexyloxy)phenyl]-6,7-dimethyl-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione [ACD/IUPAC Name]
2-(5-Éthyl-1,3,4-thiadiazol-2-yl)-1-[4-(hexyloxy)phényl]-6,7-diméthyl-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: 1.3±0.1 g/cm3
Boiling Point: 682.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.6±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 142.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 6.37
ACD/BCF (pH 5.5): 40981.51
ACD/KOC (pH 5.5): 69705.41
ACD/LogD (pH 7.4): 6.37
ACD/BCF (pH 7.4): 40983.80
ACD/KOC (pH 7.4): 69709.31
Polar Surface Area: 110 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 63.7±5.0 dyne/cm
Molar Volume: 394.9±5.0 cm3

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