ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[6-(8-chloro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperazinecarboxylate | C30H36ClN7O2

2-Methyl-2-propanyl 4-[6-(8-chloro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperazinecarboxylate

  • Molecular FormulaC30H36ClN7O2
  • Average mass562.106 Da
  • Monoisotopic mass561.261902 Da
  • ChemSpider ID121991173

More details:

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

1-Piperazinecarboxylic acid, 4-[6-(8-chloro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(3-pyridinyl)-4-pyrimidinyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[6-(8-chloro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[6-(8-chlor-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isochinolin-2-yl)-2-(3-pyridinyl)-4-pyrimidinyl]-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-[6-(8-Chloro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoléin-2-yl)-2-(3-pyridinyl)-4-pyrimidinyl]-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [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: 671.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.6±31.5 °C
Index of Refraction: 1.673
Molar Refractivity: 155.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.62
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 4.20
ACD/KOC (pH 5.5): 17.23
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 18.60
ACD/KOC (pH 7.4): 76.24
Polar Surface Area: 78 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 72.6±5.0 dyne/cm
Molar Volume: 413.6±5.0 cm3

Click to predict properties on the Chemicalize site


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