ChemSpider 2D Image | 3-[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-1-(4-ethoxyphenyl)-2,5-pyrrolidinedione | C24H27N3O7S

3-[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-1-(4-ethoxyphenyl)-2,5-pyrrolidinedione

  • Molecular FormulaC24H27N3O7S
  • Average mass501.552 Da
  • Monoisotopic mass501.156982 Da
  • ChemSpider ID2554179

More details:

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

2,5-Pyrrolidinedione, 3-[4-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfonyl]-1-piperazinyl]-1-(4-ethoxyphenyl)- [ACD/Index Name]
3-[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-1-(4-ethoxyphenyl)-2,5-pyrrolidindion [German] [ACD/IUPAC Name]
3-[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-1-(4-ethoxyphenyl)-2,5-pyrrolidinedione [ACD/IUPAC Name]
3-[4-(2,3-Dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-pipérazinyl]-1-(4-éthoxyphényl)-2,5-pyrrolidinedione [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 741.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 402.0±35.7 °C
Index of Refraction: 1.631
Molar Refractivity: 126.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.28
ACD/KOC (pH 5.5): 341.13
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.34
ACD/KOC (pH 7.4): 341.97
Polar Surface Area: 114 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 60.5±3.0 dyne/cm
Molar Volume: 355.9±3.0 cm3

Click to predict properties on the Chemicalize site


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