ChemSpider 2D Image | 3-[(4-Benzyl-1-piperazinyl)carbonyl]-1-ethyl-6-[(4-methyl-1-piperidinyl)sulfonyl]-4(1H)-quinolinone | C29H36N4O4S

3-[(4-Benzyl-1-piperazinyl)carbonyl]-1-ethyl-6-[(4-methyl-1-piperidinyl)sulfonyl]-4(1H)-quinolinone

  • Molecular FormulaC29H36N4O4S
  • Average mass536.685 Da
  • Monoisotopic mass536.245728 Da
  • ChemSpider ID20262013

More details:

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

3-[(4-Benzyl-1-piperazinyl)carbonyl]-1-ethyl-6-[(4-methyl-1-piperidinyl)sulfonyl]-4(1H)-chinolinon [German] [ACD/IUPAC Name]
3-[(4-Benzyl-1-pipérazinyl)carbonyl]-1-éthyl-6-[(4-méthyl-1-pipéridinyl)sulfonyl]-4(1H)-quinoléinone [French] [ACD/IUPAC Name]
3-[(4-Benzyl-1-piperazinyl)carbonyl]-1-ethyl-6-[(4-methyl-1-piperidinyl)sulfonyl]-4(1H)-quinolinone [ACD/IUPAC Name]
4(1H)-Quinolinone, 1-ethyl-6-[(4-methyl-1-piperidinyl)sulfonyl]-3-[[4-(phenylmethyl)-1-piperazinyl]carbonyl]- [ACD/Index Name]
3-(4-BENZYLPIPERAZINE-1-CARBONYL)-1-ETHYL-6-(4-METHYLPIPERIDIN-1-YLSULFONYL)QUINOLIN-4-ONE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 712.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 384.8±35.7 °C
Index of Refraction: 1.620
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.94
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 15.97
ACD/KOC (pH 5.5): 151.25
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 91.62
ACD/KOC (pH 7.4): 867.56
Polar Surface Area: 90 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 422.2±3.0 cm3

Click to predict properties on the Chemicalize site


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