ChemSpider 2D Image | (2-Methyl-4-{[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]methoxy}-1-benzofuran-5,7-diyl)bis(phenylmethanone) | C31H22N4O4

(2-Methyl-4-{[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]methoxy}-1-benzofuran-5,7-diyl)bis(phenylmethanone)

  • Molecular FormulaC31H22N4O4
  • Average mass514.531 Da
  • Monoisotopic mass514.164124 Da
  • ChemSpider ID30657745

More details:

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

(2-Methyl-4-{[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]methoxy}-1-benzofuran-5,7-diyl)bis(phenylmethanon) [German] [ACD/IUPAC Name]
(2-Methyl-4-{[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]methoxy}-1-benzofuran-5,7-diyl)bis(phenylmethanone) [ACD/IUPAC Name]
(2-Méthyl-4-{[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]méthoxy}-1-benzofurane-5,7-diyl)bis(phénylméthanone) [French] [ACD/IUPAC Name]
Methanone, 1,1'-[2-methyl-4-[[1-(4-pyridinyl)-1H-1,2,3-triazol-4-yl]methoxy]-5,7-benzofurandiyl]bis[1-phenyl- [ACD/Index 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: 770.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 419.7±35.7 °C
Index of Refraction: 1.678
Molar Refractivity: 147.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 634.11
ACD/KOC (pH 5.5): 3526.59
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 634.31
ACD/KOC (pH 7.4): 3527.69
Polar Surface Area: 100 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 53.4±7.0 dyne/cm
Molar Volume: 391.4±7.0 cm3

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