ChemSpider 2D Image | 2H-Pyrimido[5,4-e][1,4]diazepin-2-one | C7H4N4O

2H-Pyrimido[5,4-e][1,4]diazepin-2-one

  • Molecular FormulaC7H4N4O
  • Average mass160.133 Da
  • Monoisotopic mass160.038513 Da
  • ChemSpider ID26948506

More details:

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

2H-Pyrimido[5,4-e][1,4]diazepin-2-on [German] [ACD/IUPAC Name]
2H-Pyrimido[5,4-e][1,4]diazepin-2-one [ACD/Index Name] [ACD/IUPAC Name]
2H-Pyrimido[5,4-e][1,4]diazépin-2-one [French] [ACD/IUPAC Name]
pyrimido[1,4]diazepin-2-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 309.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.1±3.0 kJ/mol
Flash Point: 126.4±28.5 °C
Index of Refraction: 1.757
Molar Refractivity: 42.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.95
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.89
ACD/LogD (pH 7.4): -0.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.91
Polar Surface Area: 67 Å2
Polarizability: 17.0±0.5 10-24cm3
Surface Tension: 68.2±7.0 dyne/cm
Molar Volume: 104.3±7.0 cm3

Click to predict properties on the Chemicalize site


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