ChemSpider 2D Image | 10-Chloro-2-{2-(2-methoxyethyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl}-7,7-dimethyl-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one | C30H36ClN7O2

10-Chloro-2-{2-(2-methoxyethyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl}-7,7-dimethyl-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one

  • Molecular FormulaC30H36ClN7O2
  • Average mass562.106 Da
  • Monoisotopic mass561.261902 Da
  • ChemSpider ID121775471

More details:

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

10-Chlor-2-{2-(2-methoxyethyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl}-7,7-dimethyl-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isochinolin-4-on [German] [ACD/IUPAC Name]
10-Chloro-2-{2-(2-méthoxyéthyl)-6-[4-(2-pyridinyl)-1-pipérazinyl]-4-pyrimidinyl}-7,7-diméthyl-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinoléin-4-one [French] [ACD/IUPAC Name]
10-Chloro-2-{2-(2-methoxyethyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl}-7,7-dimethyl-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, 10-chloro-1,2,3,6,7,11b-hexahydro-2-[2-(2-methoxyethyl)-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]-7,7-dimethyl- [ACD/Index 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: 762.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.1±3.0 kJ/mol
Flash Point: 415.2±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 155.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.81
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 9.57
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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