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

2-[6-{[4-(Diethylamino)-2-methylphenyl]amino}-2-(4-methylphenyl)-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 ID121457608

More details:

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

2-[6-{[4-(Diethylamino)-2-methylphenyl]amino}-2-(4-methylphenyl)-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-{[4-(Diéthylamino)-2-méthylphényl]amino}-2-(4-méthylphényl)-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-{[4-(Diethylamino)-2-methylphenyl]amino}-2-(4-methylphenyl)-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-[[4-(diethylamino)-2-methylphenyl]amino]-2-(4-methylphenyl)-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: 707.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.6±32.9 °C
Index of Refraction: 1.665
Molar Refractivity: 172.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 3467.89
ACD/KOC (pH 5.5): 5385.84
ACD/LogD (pH 7.4): 6.49
ACD/BCF (pH 7.4): 48390.34
ACD/KOC (pH 7.4): 75153.03
Polar Surface Area: 65 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 464.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement