ChemSpider 2D Image | 6-(1-Azepanylsulfonyl)-1-methyl-3-{[3-methyl-4-(3-methylphenyl)-1-piperazinyl]carbonyl}-4(1H)-quinolinone | C29H36N4O4S

6-(1-Azepanylsulfonyl)-1-methyl-3-{[3-methyl-4-(3-methylphenyl)-1-piperazinyl]carbonyl}-4(1H)-quinolinone

  • Molecular FormulaC29H36N4O4S
  • Average mass536.685 Da
  • Monoisotopic mass536.245728 Da
  • ChemSpider ID20261728

More details:

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

4(1H)-Quinolinone, 6-[(hexahydro-1H-azepin-1-yl)sulfonyl]-1-methyl-3-[[3-methyl-4-(3-methylphenyl)-1-piperazinyl]carbonyl]- [ACD/Index Name]
6-(1-Azepanylsulfonyl)-1-methyl-3-{[3-methyl-4-(3-methylphenyl)-1-piperazinyl]carbonyl}-4(1H)-chinolinon [German] [ACD/IUPAC Name]
6-(1-Azépanylsulfonyl)-1-méthyl-3-{[3-méthyl-4-(3-méthylphényl)-1-pipérazinyl]carbonyl}-4(1H)-quinoléinone [French] [ACD/IUPAC Name]
6-(1-Azepanylsulfonyl)-1-methyl-3-{[3-methyl-4-(3-methylphenyl)-1-piperazinyl]carbonyl}-4(1H)-quinolinone [ACD/IUPAC Name]
6-(AZEPANE-1-SULFONYL)-1-METHYL-3-[3-METHYL-4-(3-METHYLPHENYL)PIPERAZINE-1-CARBONYL]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: 747.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.0±35.7 °C
Index of Refraction: 1.616
Molar Refractivity: 148.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 194.68
ACD/KOC (pH 5.5): 1513.14
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 195.35
ACD/KOC (pH 7.4): 1518.32
Polar Surface Area: 90 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 424.5±3.0 cm3

Click to predict properties on the Chemicalize site


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