ChemSpider 2D Image | 3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl]carbonyl}-1-ethyl-6-(1-piperidinylsulfonyl)-4(1H)-quinolinone | C29H36N4O4S

3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl]carbonyl}-1-ethyl-6-(1-piperidinylsulfonyl)-4(1H)-quinolinone

  • Molecular FormulaC29H36N4O4S
  • Average mass536.685 Da
  • Monoisotopic mass536.245728 Da
  • ChemSpider ID13137964

More details:

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

3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl]carbonyl}-1-ethyl-6-(1-piperidinylsulfonyl)-4(1H)-chinolinon [German] [ACD/IUPAC Name]
3-{[4-(2,5-Diméthylphényl)-1-pipérazinyl]carbonyl}-1-éthyl-6-(1-pipéridinylsulfonyl)-4(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl]carbonyl}-1-ethyl-6-(1-piperidinylsulfonyl)-4(1H)-quinolinone [ACD/IUPAC Name]
4(1H)-Quinolinone, 3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]carbonyl]-1-ethyl-6-(1-piperidinylsulfonyl)- [ACD/Index 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: 750.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 407.6±35.7 °C
Index of Refraction: 1.623
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 222.00
ACD/KOC (pH 5.5): 1662.40
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 222.71
ACD/KOC (pH 7.4): 1667.70
Polar Surface Area: 90 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 420.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement