ChemSpider 2D Image | 7-(4-Benzyl-1-piperazinyl)-3-[(3,5-dimethylphenyl)sulfonyl]-6-fluoro-1-methyl-4(1H)-quinolinone | C29H30FN3O3S

7-(4-Benzyl-1-piperazinyl)-3-[(3,5-dimethylphenyl)sulfonyl]-6-fluoro-1-methyl-4(1H)-quinolinone

  • Molecular FormulaC29H30FN3O3S
  • Average mass519.630 Da
  • Monoisotopic mass519.199219 Da
  • ChemSpider ID18474497

More details:

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

4(1H)-Quinolinone, 3-[(3,5-dimethylphenyl)sulfonyl]-6-fluoro-1-methyl-7-[4-(phenylmethyl)-1-piperazinyl]- [ACD/Index Name]
7-(4-Benzyl-1-piperazinyl)-3-[(3,5-dimethylphenyl)sulfonyl]-6-fluor-1-methyl-4(1H)-chinolinon [German] [ACD/IUPAC Name]
7-(4-Benzyl-1-pipérazinyl)-3-[(3,5-diméthylphényl)sulfonyl]-6-fluoro-1-méthyl-4(1H)-quinoléinone [French] [ACD/IUPAC Name]
7-(4-Benzyl-1-piperazinyl)-3-[(3,5-dimethylphenyl)sulfonyl]-6-fluoro-1-methyl-4(1H)-quinolinone [ACD/IUPAC Name]
3-[(3,5-dimethylphenyl)sulfonyl]-6-fluoro-1-methyl-7-[4-benzylpiperazinyl]hydroquinolin-4-one
7-(4-benzylpiperazin-1-yl)-3-((3,5-dimethylphenyl)sulfonyl)-6-fluoro-1-methylquinolin-4(1H)-one
7-(4-benzylpiperazin-1-yl)-3-(3,5-dimethylbenzenesulfonyl)-6-fluoro-1-methyl-1,4-dihydroquinolin-4-one
7-(4-Benzyl-piperazin-1-yl)-3-(3,5-dimethyl-benzenesulfonyl)-6-fluoro-1-methyl-1H-quinolin-4-one
7-(4-benzylpiperazin-1-yl)-3-[(3,5-dimethylphenyl)sulfonyl]-6-fluoro-1-methylquinolin-4(1H)-one
893790-66-4 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 720.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 389.7±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 143.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.12
ACD/BCF (pH 5.5): 612.33
ACD/KOC (pH 5.5): 2505.13
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1821.35
ACD/KOC (pH 7.4): 7451.34
Polar Surface Area: 69 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 400.8±3.0 cm3

Click to predict properties on the Chemicalize site


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