ChemSpider 2D Image | 1-(2,3-Dimethylphenyl)-3-{4-[4-(9H-xanthen-9-ylcarbonyl)-1-piperazinyl]phenyl}urea | C33H32N4O3

1-(2,3-Dimethylphenyl)-3-{4-[4-(9H-xanthen-9-ylcarbonyl)-1-piperazinyl]phenyl}urea

  • Molecular FormulaC33H32N4O3
  • Average mass532.632 Da
  • Monoisotopic mass532.247437 Da
  • ChemSpider ID22584743

More details:

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

1-(2,3-Dimethylphenyl)-3-{4-[4-(9H-xanthen-9-ylcarbonyl)-1-piperazinyl]phenyl}harnstoff [German] [ACD/IUPAC Name]
1-(2,3-Dimethylphenyl)-3-{4-[4-(9H-xanthen-9-ylcarbonyl)-1-piperazinyl]phenyl}urea [ACD/IUPAC Name]
1-(2,3-Diméthylphényl)-3-{4-[4-(9H-xanthén-9-ylcarbonyl)-1-pipérazinyl]phényl}urée [French] [ACD/IUPAC Name]
Urea, N-(2,3-dimethylphenyl)-N'-[4-[4-(9H-xanthen-9-ylcarbonyl)-1-piperazinyl]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: 663.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.2±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 156.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 9095.60
ACD/KOC (pH 5.5): 23552.70
ACD/LogD (pH 7.4): 5.53
ACD/BCF (pH 7.4): 9337.37
ACD/KOC (pH 7.4): 24178.75
Polar Surface Area: 74 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 63.0±3.0 dyne/cm
Molar Volume: 410.2±3.0 cm3

Click to predict properties on the Chemicalize site


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