ChemSpider 2D Image | 1-Cyclohexyl-2-[6-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-(4-fluorophenyl)-4-pyrimidinyl]-2,3,4,9-tetrahydro-1H-beta-carboline | C38H40FN5O2

1-Cyclohexyl-2-[6-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-(4-fluorophenyl)-4-pyrimidinyl]-2,3,4,9-tetrahydro-1H-β-carboline

  • Molecular FormulaC38H40FN5O2
  • Average mass617.755 Da
  • Monoisotopic mass617.316589 Da
  • ChemSpider ID121961610

More details:

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

1-Cyclohexyl-2-[6-(6,7-dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)-2-(4-fluorphenyl)-4-pyrimidinyl]-2,3,4,9-tetrahydro-1H-β-carbolin [German] [ACD/IUPAC Name]
1-Cyclohexyl-2-[6-(6,7-diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)-2-(4-fluorophényl)-4-pyrimidinyl]-2,3,4,9-tétrahydro-1H-β-carboline [French] [ACD/IUPAC Name]
1-Cyclohexyl-2-[6-(6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-(4-fluorophenyl)-4-pyrimidinyl]-2,3,4,9-tetrahydro-1H-β-carboline [ACD/IUPAC Name]
1H-Pyrido[3,4-b]indole, 1-cyclohexyl-2-[6-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-2-(4-fluorophenyl)-4-pyrimidinyl]-2,3,4,9-tetrahydro- [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: 756.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 411.1±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 178.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.88
ACD/LogD (pH 5.5): 5.80
ACD/BCF (pH 5.5): 5639.72
ACD/KOC (pH 5.5): 5246.74
ACD/LogD (pH 7.4): 7.30
ACD/BCF (pH 7.4): 177914.27
ACD/KOC (pH 7.4): 165517.14
Polar Surface Area: 67 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 490.1±3.0 cm3

Click to predict properties on the Chemicalize site


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