Found 6 results

Search term: MF = 'C_{28}H_{23}Cl_{2}F_{2}N_{3}O_{3}'
ChemSpider 2D Image | 3,4-Dichloro-N-[1-(8-fluoro-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-3-(4-fluorophenyl)-1-oxo-2-propanyl]benzamide | C28H23Cl2F2N3O3

3,4-Dichloro-N-[1-(8-fluoro-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-3-(4-fluorophenyl)-1-oxo-2-propanyl]benzamide

  • Molecular FormulaC28H23Cl2F2N3O3
  • Average mass558.403 Da
  • Monoisotopic mass557.108459 Da
  • ChemSpider ID122016042

More details:

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

3,4-Dichlor-N-[1-(8-fluor-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isochinolin-2-yl)-3-(4-fluorphenyl)-1-oxo-2-propanyl]benzamid [German] [ACD/IUPAC Name]
3,4-Dichloro-N-[1-(8-fluoro-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoléin-2-yl)-3-(4-fluorophényl)-1-oxo-2-propanyl]benzamide [French] [ACD/IUPAC Name]
3,4-Dichloro-N-[1-(8-fluoro-4-oxo-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-3-(4-fluorophenyl)-1-oxo-2-propanyl]benzamide [ACD/IUPAC Name]
Benzamide, 3,4-dichloro-N-[2-(8-fluoro-1,3,4,6,7,11b-hexahydro-4-oxo-2H-pyrazino[2,1-a]isoquinolin-2-yl)-1-[(4-fluorophenyl)methyl]-2-oxoethyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 758.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.7±32.9 °C
Index of Refraction: 1.666
Molar Refractivity: 140.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 5.14
ACD/BCF (pH 5.5): 4730.32
ACD/KOC (pH 5.5): 14862.08
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 4730.12
ACD/KOC (pH 7.4): 14861.43
Polar Surface Area: 70 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 376.6±5.0 cm3

Click to predict properties on the Chemicalize site


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