ChemSpider 2D Image | [5-(4-Cyclohexyl-1-piperazinyl)-1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl](3,4-dihydro-2(1H)-isoquinolinyl)methanone | C28H39N5O

[5-(4-Cyclohexyl-1-piperazinyl)-1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl](3,4-dihydro-2(1H)-isoquinolinyl)methanone

  • Molecular FormulaC28H39N5O
  • Average mass461.642 Da
  • Monoisotopic mass461.315460 Da
  • ChemSpider ID22521856

More details:

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

[5-(4-Cyclohexyl-1-piperazinyl)-1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl](3,4-dihydro-2(1H)-isochinolinyl)methanon [German] [ACD/IUPAC Name]
[5-(4-Cyclohexyl-1-pipérazinyl)-1-méthyl-4,5,6,7-tétrahydro-1H-indazol-3-yl](3,4-dihydro-2(1H)-isoquinoléinyl)méthanone [French] [ACD/IUPAC Name]
[5-(4-Cyclohexyl-1-piperazinyl)-1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl](3,4-dihydro-2(1H)-isoquinolinyl)methanone [ACD/IUPAC Name]
Methanone, [5-(4-cyclohexyl-1-piperazinyl)-4,5,6,7-tetrahydro-1-methyl-1H-indazol-3-yl](3,4-dihydro-2(1H)-isoquinolinyl)- [ACD/Index Name]
2-{[5-(4-cyclohexyl-1-piperazinyl)-1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline

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

Density: 1.3±0.1 g/cm3
Boiling Point: 670.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.5±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 135.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.45
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 12.79
ACD/KOC (pH 7.4): 116.81
Polar Surface Area: 45 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 53.1±7.0 dyne/cm
Molar Volume: 356.1±7.0 cm3

Click to predict properties on the Chemicalize site


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