ChemSpider 2D Image | (11bR)-2-[(~2~H_11_)Cyclohexylcarbonyl]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one | C19H13D11N2O2

(11bR)-2-[(2H11)Cyclohexylcarbonyl]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one

  • Molecular FormulaC19H13D11N2O2
  • Average mass323.474 Da
  • Monoisotopic mass323.252808 Da
  • ChemSpider ID68897552

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(11bR)-2-[(2H11)Cyclohexylcarbonyl]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isochinolin-4-on [German] [ACD/IUPAC Name]
(11bR)-2-[(2H11)Cyclohexylcarbonyl]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinoléin-4-one [French] [ACD/IUPAC Name]
(11bR)-2-[(2H11)Cyclohexylcarbonyl]-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one [ACD/IUPAC Name]
4H-Pyrazino[2,1-a]isoquinolin-4-one, 2-(cyclohexyl-d11-carbonyl)-1,2,3,6,7,11b-hexahydro-, (11bR)- [ACD/Index Name]
(R)-Praziquantel D11
1399880-38-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 544.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 254.6±22.5 °C
Index of Refraction: 1.615
Molar Refractivity: 88.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.44
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 68.12
ACD/KOC (pH 5.5): 714.25
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 68.12
ACD/KOC (pH 7.4): 714.25
Polar Surface Area: 41 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 254.2±5.0 cm3

Click to predict properties on the Chemicalize site


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