ChemSpider 2D Image | 2-(2-{4-[3-(2,4-Dichlorophenoxy)-2-hydroxypropyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione | C27H27Cl2N3O4

2-(2-{4-[3-(2,4-Dichlorophenoxy)-2-hydroxypropyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione

  • Molecular FormulaC27H27Cl2N3O4
  • Average mass528.427 Da
  • Monoisotopic mass527.137878 Da
  • ChemSpider ID2191908

More details:

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

1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[2-[4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]-1-piperazinyl]ethyl]- [ACD/Index Name]
2-(2-{4-[3-(2,4-Dichlorophénoxy)-2-hydroxypropyl]-1-pipérazinyl}éthyl)-1H-benzo[de]isoquinoléine-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-(2-{4-[3-(2,4-Dichlorophenoxy)-2-hydroxypropyl]-1-piperazinyl}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione [ACD/IUPAC Name]
2-(2-{4-[3-(2,4-Dichlorphenoxy)-2-hydroxypropyl]-1-piperazinyl}ethyl)-1H-benzo[de]isochinolin-1,3(2H)-dion [German] [ACD/IUPAC Name]
3-(2-{4-[3-(2,4-dichlorophenoxy)-2-hydroxypropyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
681256-99-5 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 707.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 381.8±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 139.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 15.80
ACD/KOC (pH 5.5): 97.27
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 329.02
ACD/KOC (pH 7.4): 2025.88
Polar Surface Area: 73 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 383.1±3.0 cm3

Click to predict properties on the Chemicalize site


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