ChemSpider 2D Image | 2-{1-[6-(7-Isopropyl-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-(2-methylphenyl)-4-pyrimidinyl]-2-piperidinyl}ethanol | C36H42N4O

2-{1-[6-(7-Isopropyl-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-(2-methylphenyl)-4-pyrimidinyl]-2-piperidinyl}ethanol

  • Molecular FormulaC36H42N4O
  • Average mass546.745 Da
  • Monoisotopic mass546.335876 Da
  • ChemSpider ID121854786

More details:

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

2-{1-[6-(7-Isopropyl-1-phenyl-3,4-dihydro-2(1H)-isochinolinyl)-2-(2-methylphenyl)-4-pyrimidinyl]-2-piperidinyl}ethanol [German] [ACD/IUPAC Name]
2-{1-[6-(7-Isopropyl-1-phényl-3,4-dihydro-2(1H)-isoquinoléinyl)-2-(2-méthylphényl)-4-pyrimidinyl]-2-pipéridinyl}éthanol [French] [ACD/IUPAC Name]
2-{1-[6-(7-Isopropyl-1-phenyl-3,4-dihydro-2(1H)-isoquinolinyl)-2-(2-methylphenyl)-4-pyrimidinyl]-2-piperidinyl}ethanol [ACD/IUPAC Name]
2-Piperidineethanol, 1-[6-[3,4-dihydro-7-(1-methylethyl)-1-phenyl-2(1H)-isoquinolinyl]-2-(2-methylphenyl)-4-pyrimidinyl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 671.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 359.7±31.5 °C
Index of Refraction: 1.608
Molar Refractivity: 166.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.07
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 643.20
ACD/KOC (pH 5.5): 703.92
ACD/LogD (pH 7.4): 5.46
ACD/BCF (pH 7.4): 3095.33
ACD/KOC (pH 7.4): 3387.53
Polar Surface Area: 52 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 481.1±3.0 cm3

Click to predict properties on the Chemicalize site


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