ChemSpider 2D Image | 2-[6-(4-Benzyl-1-piperazinyl)-2-phenyl-4-pyrimidinyl]-1-cyclohexyl-2,3,4,9-tetrahydro-1H-beta-carboline | C38H42N6

2-[6-(4-Benzyl-1-piperazinyl)-2-phenyl-4-pyrimidinyl]-1-cyclohexyl-2,3,4,9-tetrahydro-1H-β-carboline

  • Molecular FormulaC38H42N6
  • Average mass582.780 Da
  • Monoisotopic mass582.347107 Da
  • ChemSpider ID121850783

More details:

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

1H-Pyrido[3,4-b]indole, 1-cyclohexyl-2,3,4,9-tetrahydro-2-[2-phenyl-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]- [ACD/Index Name]
2-[6-(4-Benzyl-1-piperazinyl)-2-phenyl-4-pyrimidinyl]-1-cyclohexyl-2,3,4,9-tetrahydro-1H-β-carbolin [German] [ACD/IUPAC Name]
2-[6-(4-Benzyl-1-piperazinyl)-2-phenyl-4-pyrimidinyl]-1-cyclohexyl-2,3,4,9-tetrahydro-1H-β-carboline [ACD/IUPAC Name]
2-[6-(4-Benzyl-1-pipérazinyl)-2-phényl-4-pyrimidinyl]-1-cyclohexyl-2,3,4,9-tétrahydro-1H-β-carboline [French] [ACD/IUPAC 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: 728.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 394.3±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 178.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 7.49
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 356.99
ACD/KOC (pH 5.5): 412.16
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 2595.23
ACD/KOC (pH 7.4): 2996.30
Polar Surface Area: 51 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 59.3±3.0 dyne/cm
Molar Volume: 477.4±3.0 cm3

Click to predict properties on the Chemicalize site


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