ChemSpider 2D Image | 2-{[3-(1H-Benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1(2H)-phthalazinone | C19H14N6O2

2-{[3-(1H-Benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1(2H)-phthalazinone

  • Molecular FormulaC19H14N6O2
  • Average mass358.353 Da
  • Monoisotopic mass358.117828 Da
  • ChemSpider ID29516994

More details:






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

1(2H)-Phthalazinone, 2-[[3-(1H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-methyl- [ACD/Index Name]
2-{[3-(1H-Benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]méthyl}-4-méthyl-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
2-{[3-(1H-Benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
2-{[3-(1H-Benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methyl-1(2H)-phthalazinone [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 703.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.1±35.7 °C
Index of Refraction: 1.790
Molar Refractivity: 98.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.85
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 14.02
ACD/KOC (pH 5.5): 229.03
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 14.30
ACD/KOC (pH 7.4): 233.62
Polar Surface Area: 100 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 66.0±7.0 dyne/cm
Molar Volume: 233.0±7.0 cm3

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