ChemSpider 2D Image | 5-Ethoxy-1-[6-(3-methyl-2-{[5-methyl-2-(tetrahydro-2H-pyran-4-yl)-1,2,3,4-tetrahydro-6-isoquinolinyl]methoxy}phenyl)-2-pyridinyl]-1H-pyrazole-4-carboxylic acid | C34H38N4O5

5-Ethoxy-1-[6-(3-methyl-2-{[5-methyl-2-(tetrahydro-2H-pyran-4-yl)-1,2,3,4-tetrahydro-6-isoquinolinyl]methoxy}phenyl)-2-pyridinyl]-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC34H38N4O5
  • Average mass582.689 Da
  • Monoisotopic mass582.284241 Da
  • ChemSpider ID128921322

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-ethoxy-1-[6-[3-methyl-2-[[1,2,3,4-tetrahydro-5-methyl-2-(tetrahydro-2H-pyran-4-yl)-6-isoquinolinyl]methoxy]phenyl]-2-pyridinyl]- [ACD/Index Name]
5-Ethoxy-1-[6-(3-methyl-2-{[5-methyl-2-(tetrahydro-2H-pyran-4-yl)-1,2,3,4-tetrahydro-6-isochinolinyl]methoxy}phenyl)-2-pyridinyl]-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Ethoxy-1-[6-(3-methyl-2-{[5-methyl-2-(tetrahydro-2H-pyran-4-yl)-1,2,3,4-tetrahydro-6-isoquinolinyl]methoxy}phenyl)-2-pyridinyl]-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-éthoxy-1-[6-(3-méthyl-2-{[5-méthyl-2-(tétrahydro-2H-pyran-4-yl)-1,2,3,4-tétrahydro-6-isoquinoléinyl]méthoxy}phényl)-2-pyridinyl]-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC 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: 743.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.8±3.0 kJ/mol
Flash Point: 403.7±32.9 °C
Index of Refraction: 1.645
Molar Refractivity: 163.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.00
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 126.10
ACD/KOC (pH 5.5): 216.14
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 110.14
ACD/KOC (pH 7.4): 188.80
Polar Surface Area: 99 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 450.2±7.0 cm3

Click to predict properties on the Chemicalize site


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