ChemSpider 2D Image | 3-(4-{[(3-Chloro-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 | C27H19ClN4O5

3-(4-{[(3-Chloro-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 FormulaC27H19ClN4O5
  • Average mass514.917 Da
  • Monoisotopic mass514.104370 Da
  • ChemSpider ID30838187

More details:

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

3-(4-{[(3-Chlor-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]
3-(4-{[(3-Chloro-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-{[(3-Chloro-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]
Naphtho[1,2-b]furan-4,5-dione, 3-[4-[[(3-chloro-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: 1.6±0.1 g/cm3
Boiling Point: 723.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 391.1±35.7 °C
Index of Refraction: 1.752
Molar Refractivity: 134.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 133.77
ACD/KOC (pH 5.5): 1157.84
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 133.77
ACD/KOC (pH 7.4): 1157.84
Polar Surface Area: 120 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 64.4±7.0 dyne/cm
Molar Volume: 329.0±7.0 cm3

Click to predict properties on the Chemicalize site


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