Found 34 results

Search term: MF = 'C_{29}H_{32}F_{2}N_{6}O'
ChemSpider 2D Image | 8-Fluoro-2-{6-[4-(4-fluorophenyl)-1-piperazinyl]-2-isopropyl-4-pyrimidinyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one | C29H32F2N6O

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

  • Molecular FormulaC29H32F2N6O
  • Average mass518.601 Da
  • Monoisotopic mass518.260559 Da
  • ChemSpider ID121780192

More details:

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

4H-Pyrazino[2,1-a]isoquinolin-4-one, 8-fluoro-2-[6-[4-(4-fluorophenyl)-1-piperazinyl]-2-(1-methylethyl)-4-pyrimidinyl]-1,2,3,6,7,11b-hexahydro- [ACD/Index Name]
8-Fluor-2-{6-[4-(4-fluorphenyl)-1-piperazinyl]-2-isopropyl-4-pyrimidinyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isochinolin-4-on [German] [ACD/IUPAC Name]
8-Fluoro-2-{6-[4-(4-fluorophényl)-1-pipérazinyl]-2-isopropyl-4-pyrimidinyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinoléin-4-one [French] [ACD/IUPAC Name]
8-Fluoro-2-{6-[4-(4-fluorophenyl)-1-piperazinyl]-2-isopropyl-4-pyrimidinyl}-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one [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: 718.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 388.1±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 141.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 2.42
ACD/KOC (pH 5.5): 12.79
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 16.35
ACD/KOC (pH 7.4): 86.40
Polar Surface Area: 56 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 67.2±5.0 dyne/cm
Molar Volume: 380.9±5.0 cm3

Click to predict properties on the Chemicalize site


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