ChemSpider 2D Image | 4-(2-Bromo-4-ethylphenoxy)-1-{4-[3-(1-pyrrolidinyl)propanoyl]-1-piperazinyl}-1-butanone | C23H34BrN3O3

4-(2-Bromo-4-ethylphenoxy)-1-{4-[3-(1-pyrrolidinyl)propanoyl]-1-piperazinyl}-1-butanone

  • Molecular FormulaC23H34BrN3O3
  • Average mass480.438 Da
  • Monoisotopic mass479.178345 Da
  • ChemSpider ID121349868

More details:

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

1-Butanone, 4-(2-bromo-4-ethylphenoxy)-1-[4-[1-oxo-3-(1-pyrrolidinyl)propyl]-1-piperazinyl]- [ACD/Index Name]
4-(2-Brom-4-ethylphenoxy)-1-{4-[3-(1-pyrrolidinyl)propanoyl]-1-piperazinyl}-1-butanon [German] [ACD/IUPAC Name]
4-(2-Bromo-4-ethylphenoxy)-1-{4-[3-(1-pyrrolidinyl)propanoyl]-1-piperazinyl}-1-butanone [ACD/IUPAC Name]
4-(2-Bromo-4-éthylphénoxy)-1-{4-[3-(1-pyrrolidinyl)propanoyl]-1-pipérazinyl}-1-butanone [French] [ACD/IUPAC 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: 649.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.7±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 121.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.54
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.56
Polar Surface Area: 53 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 373.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement