ChemSpider 2D Image | 1-({1-[(5-{[4-(2-Ethoxyphenyl)-1-piperazinyl]carbonyl}-2-furyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(2-fluorophenyl)-1-propylurea | C33H38FN5O4

1-({1-[(5-{[4-(2-Ethoxyphenyl)-1-piperazinyl]carbonyl}-2-furyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(2-fluorophenyl)-1-propylurea

  • Molecular FormulaC33H38FN5O4
  • Average mass587.684 Da
  • Monoisotopic mass587.290771 Da
  • ChemSpider ID3416238

More details:

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

1-({1-[(5-{[4-(2-Ethoxyphenyl)-1-piperazinyl]carbonyl}-2-furyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(2-fluorophenyl)-1-propylurea [ACD/IUPAC Name]
1-({1-[(5-{[4-(2-Éthoxyphényl)-1-pipérazinyl]carbonyl}-2-furyl)méthyl]-1H-pyrrol-2-yl}méthyl)-3-(2-fluorophényl)-1-propylurée [French] [ACD/IUPAC Name]
1-({1-[(5-{[4-(2-Ethoxyphenyl)-1-piperazinyl]carbonyl}-2-furyl)methyl]-1H-pyrrol-2-yl}methyl)-3-(2-fluorphenyl)-1-propylharnstoff [German] [ACD/IUPAC Name]
Urea, N-[[1-[[5-[[4-(2-ethoxyphenyl)-1-piperazinyl]carbonyl]-2-furanyl]methyl]-1H-pyrrol-2-yl]methyl]-N'-(2-fluorophenyl)-N-propyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 785.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 428.9±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 164.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.25
ACD/LogD (pH 5.5): 4.38
ACD/BCF (pH 5.5): 1248.22
ACD/KOC (pH 5.5): 5726.26
ACD/LogD (pH 7.4): 4.38
ACD/BCF (pH 7.4): 1248.74
ACD/KOC (pH 7.4): 5728.65
Polar Surface Area: 83 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 476.8±7.0 cm3

Click to predict properties on the Chemicalize site


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