ChemSpider 2D Image | 3-{2-[4-(Cyclopropylmethyl)-1-piperazinyl]-2-oxoethyl}-4-(3,4-difluorobenzyl)-2-piperazinone | C21H28F2N4O2

3-{2-[4-(Cyclopropylmethyl)-1-piperazinyl]-2-oxoethyl}-4-(3,4-difluorobenzyl)-2-piperazinone

  • Molecular FormulaC21H28F2N4O2
  • Average mass406.469 Da
  • Monoisotopic mass406.218048 Da
  • ChemSpider ID22246814

More details:

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

2-Piperazinone, 3-[2-[4-(cyclopropylmethyl)-1-piperazinyl]-2-oxoethyl]-4-[(3,4-difluorophenyl)methyl]- [ACD/Index Name]
3-{2-[4-(Cyclopropylmethyl)-1-piperazinyl]-2-oxoethyl}-4-(3,4-difluorbenzyl)-2-piperazinon [German] [ACD/IUPAC Name]
3-{2-[4-(Cyclopropylmethyl)-1-piperazinyl]-2-oxoethyl}-4-(3,4-difluorobenzyl)-2-piperazinone [ACD/IUPAC Name]
3-{2-[4-(Cyclopropylméthyl)-1-pipérazinyl]-2-oxoéthyl}-4-(3,4-difluorobenzyl)-2-pipérazinone [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: 594.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.6±3.0 kJ/mol
Flash Point: 313.3±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 104.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.52
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.23
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.33
ACD/KOC (pH 7.4): 60.86
Polar Surface Area: 56 Å2
Polarizability: 41.2±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 319.5±3.0 cm3

Click to predict properties on the Chemicalize site


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