ChemSpider 2D Image | 3-{[(2-Chlorobenzyl)sulfonyl]methyl}-7-{[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl}-3,4-dihydro-2(1H)-quinoxalinone | C28H29ClN4O5S

3-{[(2-Chlorobenzyl)sulfonyl]methyl}-7-{[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl}-3,4-dihydro-2(1H)-quinoxalinone

  • Molecular FormulaC28H29ClN4O5S
  • Average mass569.072 Da
  • Monoisotopic mass568.154724 Da
  • ChemSpider ID22469399

More details:

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

2(1H)-Quinoxalinone, 3-[[[(2-chlorophenyl)methyl]sulfonyl]methyl]-3,4-dihydro-7-[[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl]- [ACD/Index Name]
3-{[(2-Chlorbenzyl)sulfonyl]methyl}-7-{[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl}-3,4-dihydro-2(1H)-chinoxalinon [German] [ACD/IUPAC Name]
3-{[(2-Chlorobenzyl)sulfonyl]methyl}-7-{[4-(4-methoxyphenyl)-1-piperazinyl]carbonyl}-3,4-dihydro-2(1H)-quinoxalinone [ACD/IUPAC Name]
3-{[(2-Chlorobenzyl)sulfonyl]méthyl}-7-{[4-(4-méthoxyphényl)-1-pipérazinyl]carbonyl}-3,4-dihydro-2(1H)-quinoxalinone [French] [ACD/IUPAC Name]
3-{[(2-chlorobenzyl)sulfonyl]methyl}-7-{[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl}-3,4-dihydroquinoxalin-2(1H)-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 883.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 128.4±3.0 kJ/mol
Flash Point: 487.8±34.3 °C
Index of Refraction: 1.627
Molar Refractivity: 149.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 54.78
ACD/KOC (pH 5.5): 608.40
ACD/LogD (pH 7.4): 2.60
ACD/BCF (pH 7.4): 55.63
ACD/KOC (pH 7.4): 617.83
Polar Surface Area: 116 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 420.4±3.0 cm3

Click to predict properties on the Chemicalize site


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