ChemSpider 2D Image | 3-(3-Bromophenyl)-1-butyl-1-{2-[4-(4-chlorophenyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]-2-oxoethyl}urea | C30H32BrClN4O2

3-(3-Bromophenyl)-1-butyl-1-{2-[4-(4-chlorophenyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]-2-oxoethyl}urea

  • Molecular FormulaC30H32BrClN4O2
  • Average mass595.958 Da
  • Monoisotopic mass594.139709 Da
  • ChemSpider ID110022940

More details:

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

3-(3-Bromophenyl)-1-butyl-1-{2-[4-(4-chlorophenyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]-2-oxoethyl}urea [ACD/IUPAC Name]
3-(3-Bromophényl)-1-butyl-1-{2-[4-(4-chlorophényl)-2,3,3a,4-tétrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]-2-oxoéthyl}urée [French] [ACD/IUPAC Name]
3-(3-Bromphenyl)-1-butyl-1-{2-[4-(4-chlorphenyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]chinoxalin-5(1H)-yl]-2-oxoethyl}harnstoff [German] [ACD/IUPAC Name]
Urea, N'-(3-bromophenyl)-N-butyl-N-[2-[4-(4-chlorophenyl)-2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]-2-oxoethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 780.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 425.6±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 155.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 6977.27
ACD/KOC (pH 5.5): 10802.94
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 52221.43
ACD/KOC (pH 7.4): 80854.62
Polar Surface Area: 56 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 66.1±5.0 dyne/cm
Molar Volume: 411.4±5.0 cm3

Click to predict properties on the Chemicalize site


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