ChemSpider 2D Image | (2E)-1-{4-[Bis(4-bromophenyl)methyl]-1-piperazinyl}-3-(4-methylphenyl)-2-propen-1-one | C27H26Br2N2O

(2E)-1-{4-[Bis(4-bromophenyl)methyl]-1-piperazinyl}-3-(4-methylphenyl)-2-propen-1-one

  • Molecular FormulaC27H26Br2N2O
  • Average mass554.316 Da
  • Monoisotopic mass552.041199 Da
  • ChemSpider ID30657498

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-1-{4-[Bis(4-bromophenyl)methyl]-1-piperazinyl}-3-(4-methylphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-{4-[Bis(4-bromophényl)méthyl]-1-pipérazinyl}-3-(4-méthylphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-1-{4-[Bis(4-bromphenyl)methyl]-1-piperazinyl}-3-(4-methylphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 1-[4-[bis(4-bromophenyl)methyl]-1-piperazinyl]-3-(4-methylphenyl)-, (2E)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 657.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.4±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 139.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 6.01
ACD/BCF (pH 5.5): 21215.49
ACD/KOC (pH 5.5): 42523.24
ACD/LogD (pH 7.4): 6.04
ACD/BCF (pH 7.4): 22977.40
ACD/KOC (pH 7.4): 46054.73
Polar Surface Area: 24 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 53.5±3.0 dyne/cm
Molar Volume: 379.5±3.0 cm3

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