ChemSpider 2D Image | 2-[2-(4-Chlorophenyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-4-pyrimidinyl]-4,4-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline | C37H41ClN4

2-[2-(4-Chlorophenyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-4-pyrimidinyl]-4,4-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline

  • Molecular FormulaC37H41ClN4
  • Average mass577.201 Da
  • Monoisotopic mass576.302002 Da
  • ChemSpider ID121944893

More details:

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

2-[2-(4-Chlorophényl)-6-(1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl)-4-pyrimidinyl]-4,4-diméthyl-1-phényl-1,2,3,4-tétrahydroisoquinoléine [French] [ACD/IUPAC Name]
2-[2-(4-Chlorophenyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-4-pyrimidinyl]-4,4-dimethyl-1-phenyl-1,2,3,4-tetrahydroisoquinoline [ACD/IUPAC Name]
2-[2-(4-Chlorphenyl)-6-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-4-pyrimidinyl]-4,4-dimethyl-1-phenyl-1,2,3,4-tetrahydroisochinolin [German] [ACD/IUPAC Name]
6-Azabicyclo[3.2.1]octane, 6-[2-(4-chlorophenyl)-6-(3,4-dihydro-4,4-dimethyl-1-phenyl-2(1H)-isoquinolinyl)-4-pyrimidinyl]-1,3,3-trimethyl- [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: 644.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.4±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 171.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 9.79
ACD/LogD (pH 5.5): 6.51
ACD/BCF (pH 5.5): 13244.92
ACD/KOC (pH 5.5): 6182.45
ACD/LogD (pH 7.4): 7.33
ACD/BCF (pH 7.4): 88948.21
ACD/KOC (pH 7.4): 41519.20
Polar Surface Area: 32 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 499.7±3.0 cm3

Click to predict properties on the Chemicalize site


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