ChemSpider 2D Image | (2E)-1-{4-[Bis(4-bromophenyl)methyl]-1-piperazinyl}-3-(4-ethoxy-3-methoxyphenyl)-2-propen-1-one | C29H30Br2N2O3

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

  • Molecular FormulaC29H30Br2N2O3
  • Average mass614.368 Da
  • Monoisotopic mass612.062317 Da
  • ChemSpider ID30657364

  • 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-ethoxy-3-methoxyphenyl)-2-propen-1-one [ACD/IUPAC Name]
(2E)-1-{4-[Bis(4-bromophényl)méthyl]-1-pipérazinyl}-3-(4-éthoxy-3-méthoxyphényl)-2-propén-1-one [French] [ACD/IUPAC Name]
(2E)-1-{4-[Bis(4-bromphenyl)methyl]-1-piperazinyl}-3-(4-ethoxy-3-methoxyphenyl)-2-propen-1-on [German] [ACD/IUPAC Name]
2-Propen-1-one, 1-[4-[bis(4-bromophenyl)methyl]-1-piperazinyl]-3-(4-ethoxy-3-methoxyphenyl)-, (2E)- [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: 705.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.5±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 152.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 5.82
ACD/BCF (pH 5.5): 15327.78
ACD/KOC (pH 5.5): 33798.68
ACD/LogD (pH 7.4): 5.85
ACD/BCF (pH 7.4): 16425.95
ACD/KOC (pH 7.4): 36220.20
Polar Surface Area: 42 Å2
Polarizability: 60.5±0.5 10-24cm3
Surface Tension: 51.4±3.0 dyne/cm
Molar Volume: 427.7±3.0 cm3

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