ChemSpider 2D Image | 3-(4-Methylphenyl)-2-(1-piperidinyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one | C22H21N3O2

3-(4-Methylphenyl)-2-(1-piperidinyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC22H21N3O2
  • Average mass359.421 Da
  • Monoisotopic mass359.163391 Da
  • ChemSpider ID21128521

More details:

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

3-(4-Methylphenyl)-2-(1-piperidinyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
3-(4-Methylphenyl)-2-(1-piperidinyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
3-(4-Méthylphényl)-2-(1-pipéridinyl)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Benzofuro[3,2-d]pyrimidin-4(3H)-one, 3-(4-methylphenyl)-2-(1-piperidinyl)- [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: 543.8±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±3.0 kJ/mol
Flash Point: 282.7±30.7 °C
Index of Refraction: 1.688
Molar Refractivity: 104.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 482.97
ACD/KOC (pH 5.5): 2902.36
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 482.97
ACD/KOC (pH 7.4): 2902.39
Polar Surface Area: 49 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 52.4±7.0 dyne/cm
Molar Volume: 273.2±7.0 cm3

Click to predict properties on the Chemicalize site


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