ChemSpider 2D Image | 2-(2-Benzyl-6-{[4-(1-piperidinyl)phenyl]amino}-4-pyrimidinyl)-7,7-dimethyl-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one | C36H40N6O

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

  • Molecular FormulaC36H40N6O
  • Average mass572.742 Da
  • Monoisotopic mass572.326355 Da
  • ChemSpider ID121399927

More details:

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

2-(2-Benzyl-6-{[4-(1-piperidinyl)phenyl]amino}-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-(2-Benzyl-6-{[4-(1-pipéridinyl)phényl]amino}-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-(2-Benzyl-6-{[4-(1-piperidinyl)phenyl]amino}-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, 1,2,3,6,7,11b-hexahydro-7,7-dimethyl-2-[2-(phenylmethyl)-6-[[4-(1-piperidinyl)phenyl]amino]-4-pyrimidinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 792.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.3±3.0 kJ/mol
Flash Point: 433.3±32.9 °C
Index of Refraction: 1.689
Molar Refractivity: 170.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 9899.21
ACD/KOC (pH 5.5): 17434.03
ACD/LogD (pH 7.4): 6.29
ACD/BCF (pH 7.4): 35146.86
ACD/KOC (pH 7.4): 61899.07
Polar Surface Area: 65 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 69.1±5.0 dyne/cm
Molar Volume: 446.9±5.0 cm3

Click to predict properties on the Chemicalize site


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