ChemSpider 2D Image | 2-{4-[4-(4-Chlorobutanoyl)-1-piperazinyl]-4-oxobutyl}-5-nitro-1H-isoindole-1,3(2H)-dione | C20H23ClN4O6

2-{4-[4-(4-Chlorobutanoyl)-1-piperazinyl]-4-oxobutyl}-5-nitro-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC20H23ClN4O6
  • Average mass450.873 Da
  • Monoisotopic mass450.130615 Da
  • ChemSpider ID32464981

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[4-[4-(4-chloro-1-oxobutyl)-1-piperazinyl]-4-oxobutyl]-5-nitro- [ACD/Index Name]
2-{4-[4-(4-Chlorbutanoyl)-1-piperazinyl]-4-oxobutyl}-5-nitro-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{4-[4-(4-Chlorobutanoyl)-1-piperazinyl]-4-oxobutyl}-5-nitro-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{4-[4-(4-Chlorobutanoyl)-1-pipérazinyl]-4-oxobutyl}-5-nitro-1H-isoindole-1,3(2H)-dione [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: 703.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 379.2±32.9 °C
Index of Refraction: 1.603
Molar Refractivity: 109.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 13.94
ACD/KOC (pH 5.5): 229.50
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 13.94
ACD/KOC (pH 7.4): 229.50
Polar Surface Area: 124 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 318.9±3.0 cm3

Click to predict properties on the Chemicalize site


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