ChemSpider 2D Image | 8-Chloro-2-{6-[4-(3-chlorophenyl)-1-piperazinyl]-2-ethyl-4-pyrimidinyl}-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline | C28H32Cl2N6

8-Chloro-2-{6-[4-(3-chlorophenyl)-1-piperazinyl]-2-ethyl-4-pyrimidinyl}-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline

  • Molecular FormulaC28H32Cl2N6
  • Average mass523.500 Da
  • Monoisotopic mass522.206543 Da
  • ChemSpider ID121886812

More details:

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

2H-Pyrazino[2,1-a]isoquinoline, 8-chloro-2-[6-[4-(3-chlorophenyl)-1-piperazinyl]-2-ethyl-4-pyrimidinyl]-1,3,4,6,7,11b-hexahydro- [ACD/Index Name]
8-Chlor-2-{6-[4-(3-chlorphenyl)-1-piperazinyl]-2-ethyl-4-pyrimidinyl}-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isochinolin [German] [ACD/IUPAC Name]
8-Chloro-2-{6-[4-(3-chlorophényl)-1-pipérazinyl]-2-éthyl-4-pyrimidinyl}-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoléine [French] [ACD/IUPAC Name]
8-Chloro-2-{6-[4-(3-chlorophenyl)-1-piperazinyl]-2-ethyl-4-pyrimidinyl}-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline [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: 704.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 379.9±32.9 °C
Index of Refraction: 1.696
Molar Refractivity: 146.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 32.40
ACD/KOC (pH 5.5): 71.90
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 51.92
ACD/KOC (pH 7.4): 115.23
Polar Surface Area: 39 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 71.9±5.0 dyne/cm
Molar Volume: 380.2±5.0 cm3

Click to predict properties on the Chemicalize site


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