ChemSpider 2D Image | 1-(4-Ethylphenyl)-3-{4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-pyrrolidinylcarbonyl)phenyl}urea | C31H37N5O3

1-(4-Ethylphenyl)-3-{4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-pyrrolidinylcarbonyl)phenyl}urea

  • Molecular FormulaC31H37N5O3
  • Average mass527.657 Da
  • Monoisotopic mass527.289612 Da
  • ChemSpider ID909518

More details:

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

1-(4-Ethylphenyl)-3-{4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-pyrrolidinylcarbonyl)phenyl}harnstoff [German] [ACD/IUPAC Name]
1-(4-Ethylphenyl)-3-{4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-pyrrolidinylcarbonyl)phenyl}urea [ACD/IUPAC Name]
1-(4-Éthylphényl)-3-{4-[4-(2-méthoxyphényl)-1-pipérazinyl]-3-(1-pyrrolidinylcarbonyl)phényl}urée [French] [ACD/IUPAC Name]
Urea, N-(4-ethylphenyl)-N'-[4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(1-pyrrolidinylcarbonyl)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: 670.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.5±3.0 kJ/mol
Flash Point: 359.3±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 154.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 58.89
ACD/KOC (pH 5.5): 295.36
ACD/LogD (pH 7.4): 4.12
ACD/BCF (pH 7.4): 766.77
ACD/KOC (pH 7.4): 3845.52
Polar Surface Area: 77 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 421.6±3.0 cm3

Click to predict properties on the Chemicalize site


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