ChemSpider 2D Image | 3-(4-Chlorophenyl)-2-(diisopropylamino)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one | C22H22ClN3O2

3-(4-Chlorophenyl)-2-(diisopropylamino)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one

  • Molecular FormulaC22H22ClN3O2
  • Average mass395.882 Da
  • Monoisotopic mass395.140045 Da
  • ChemSpider ID21119616

More details:

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

3-(4-Chlorophenyl)-2-(diisopropylamino)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
3-(4-Chlorophényl)-2-(diisopropylamino)[1]benzofuro[3,2-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
3-(4-Chlorphenyl)-2-(diisopropylamino)[1]benzofuro[3,2-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
Benzofuro[3,2-d]pyrimidin-4(3H)-one, 2-[bis(1-methylethyl)amino]-3-(4-chlorophenyl)- [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: 531.2±56.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.0±31.8 °C
Index of Refraction: 1.638
Molar Refractivity: 110.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 2455.23
ACD/KOC (pH 5.5): 9294.44
ACD/LogD (pH 7.4): 4.76
ACD/BCF (pH 7.4): 2455.25
ACD/KOC (pH 7.4): 9294.51
Polar Surface Area: 49 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 308.4±7.0 cm3

Click to predict properties on the Chemicalize site


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