ChemSpider 2D Image | 3-{2-[4-(5-Chloro-2-pyridinyl)-1-piperazinyl]-2-oxoethyl}-4-isobutyl-2-piperazinone | C19H28ClN5O2

3-{2-[4-(5-Chloro-2-pyridinyl)-1-piperazinyl]-2-oxoethyl}-4-isobutyl-2-piperazinone

  • Molecular FormulaC19H28ClN5O2
  • Average mass393.911 Da
  • Monoisotopic mass393.193146 Da
  • ChemSpider ID22202565

More details:

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

2-Piperazinone, 3-[2-[4-(5-chloro-2-pyridinyl)-1-piperazinyl]-2-oxoethyl]-4-(2-methylpropyl)- [ACD/Index Name]
3-{2-[4-(5-Chlor-2-pyridinyl)-1-piperazinyl]-2-oxoethyl}-4-isobutyl-2-piperazinon [German] [ACD/IUPAC Name]
3-{2-[4-(5-Chloro-2-pyridinyl)-1-piperazinyl]-2-oxoethyl}-4-isobutyl-2-piperazinone [ACD/IUPAC Name]
3-{2-[4-(5-Chloro-2-pyridinyl)-1-pipérazinyl]-2-oxoéthyl}-4-isobutyl-2-pipérazinone [French] [ACD/IUPAC Name]
3-{2-[4-(5-CHLOROPYRIDIN-2-YL)PIPERAZIN-1-YL]-2-OXOETHYL}-4-(2-METHYLPROPYL)PIPERAZIN-2-ONE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 634.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.8±31.5 °C
Index of Refraction: 1.552
Molar Refractivity: 104.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.78
ACD/LogD (pH 7.4): 1.02
ACD/BCF (pH 7.4): 3.37
ACD/KOC (pH 7.4): 79.37
Polar Surface Area: 69 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 326.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement