ChemSpider 2D Image | 2-{6-[4-(Diphenylmethyl)-1-piperazinyl]-2-(2-methoxyethyl)-4-pyrimidinyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one | C36H40N6O2

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

  • Molecular FormulaC36H40N6O2
  • Average mass588.742 Da
  • Monoisotopic mass588.321289 Da
  • ChemSpider ID121831666

More details:

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

2-{6-[4-(Diphenylmethyl)-1-piperazinyl]-2-(2-methoxyethyl)-4-pyrimidinyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isochinolin-4-on [German] [ACD/IUPAC Name]
2-{6-[4-(Diphénylméthyl)-1-pipérazinyl]-2-(2-méthoxyéthyl)-4-pyrimidinyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinoléin-4-one [French] [ACD/IUPAC Name]
2-{6-[4-(Diphenylmethyl)-1-piperazinyl]-2-(2-methoxyethyl)-4-pyrimidinyl}-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-[6-[4-(diphenylmethyl)-1-piperazinyl]-2-(2-methoxyethyl)-4-pyrimidinyl]-1,2,3,6,7,11b-hexahydro- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 768.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 418.7±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 172.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.51
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 5.67
ACD/KOC (pH 5.5): 23.82
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 60.24
ACD/KOC (pH 7.4): 253.00
Polar Surface Area: 65 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 452.3±5.0 cm3

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