ChemSpider 2D Image | 2-(6-{[3-(Dimethylamino)phenyl]amino}-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl)-7,7-dimethyl-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one | C36H42N6O

2-(6-{[3-(Dimethylamino)phenyl]amino}-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl)-7,7-dimethyl-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID121563590

More details:

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

2-(6-{[3-(Dimethylamino)phenyl]amino}-2-[4-(2-methyl-2-propanyl)phenyl]-4-pyrimidinyl)-7,7-dimethyl-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isochinolin-4-on [German] [ACD/IUPAC Name]
2-(6-{[3-(Diméthylamino)phényl]amino}-2-[4-(2-méthyl-2-propanyl)phényl]-4-pyrimidinyl)-7,7-diméthyl-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinoléin-4-one [French] [ACD/IUPAC Name]
2-(6-{[3-(Dimethylamino)phenyl]amino}-2-[4-(2-methyl-2-propanyl)phenyl]-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, 2-[6-[[3-(dimethylamino)phenyl]amino]-2-[4-(1,1-dimethylethyl)phenyl]-4-pyrimidinyl]-1,2,3,6,7,11b-hexahydro-7,7-dimethyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 695.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.5±31.5 °C
Index of Refraction: 1.663
Molar Refractivity: 172.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 6.48
ACD/BCF (pH 5.5): 43757.43
ACD/KOC (pH 5.5): 62556.96
ACD/LogD (pH 7.4): 6.72
ACD/BCF (pH 7.4): 74869.30
ACD/KOC (pH 7.4): 107035.45
Polar Surface Area: 65 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 465.6±5.0 cm3

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