ChemSpider 2D Image | 3-(4-{[(1,4-Dioxo-1,4-dihydro-2-naphthalenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-2,2-dimethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-dione | C27H20N4O5

3-(4-{[(1,4-Dioxo-1,4-dihydro-2-naphthalenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-2,2-dimethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-dione

  • Molecular FormulaC27H20N4O5
  • Average mass480.471 Da
  • Monoisotopic mass480.143372 Da
  • ChemSpider ID30838185

More details:

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

3-(4-{[(1,4-Dioxo-1,4-dihydro-2-naphtalényl)amino]méthyl}-1H-1,2,3-triazol-1-yl)-2,2-diméthyl-2,3-dihydronaphto[1,2-b]furane-4,5-dione [French] [ACD/IUPAC Name]
3-(4-{[(1,4-Dioxo-1,4-dihydro-2-naphthalenyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-2,2-dimethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-dione [ACD/IUPAC Name]
3-(4-{[(1,4-Dioxo-1,4-dihydro-2-naphthalinyl)amino]methyl}-1H-1,2,3-triazol-1-yl)-2,2-dimethyl-2,3-dihydronaphtho[1,2-b]furan-4,5-dion [German] [ACD/IUPAC Name]
Naphtho[1,2-b]furan-4,5-dione, 3-[4-[[(1,4-dihydro-1,4-dioxo-2-naphthalenyl)amino]methyl]-1H-1,2,3-triazol-1-yl]-2,3-dihydro-2,2-dimethyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 738.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.7±3.0 kJ/mol
Flash Point: 400.5±35.7 °C
Index of Refraction: 1.746
Molar Refractivity: 129.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.52
ACD/KOC (pH 5.5): 601.01
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.52
ACD/KOC (pH 7.4): 601.01
Polar Surface Area: 120 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 63.7±7.0 dyne/cm
Molar Volume: 319.8±7.0 cm3

Click to predict properties on the Chemicalize site


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