ChemSpider 2D Image | 2-({1-[(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydro-2(1H)-isoquinolinyl}carbonyl)cyclohexanecarboxylic acid | C26H28N2O4

2-({1-[(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydro-2(1H)-isoquinolinyl}carbonyl)cyclohexanecarboxylic acid

  • Molecular FormulaC26H28N2O4
  • Average mass432.512 Da
  • Monoisotopic mass432.204895 Da
  • ChemSpider ID34233211

More details:






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

2-({1-[(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydro-2(1H)-isochinolinyl}carbonyl)cyclohexancarbonsäure [German] [ACD/IUPAC Name]
2-({1-[(1-Oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydro-2(1H)-isoquinolinyl}carbonyl)cyclohexanecarboxylic acid [ACD/IUPAC Name]
Acide 2-({1-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)méthyl]-3,4-dihydro-2(1H)-isoquinoléinyl}carbonyl)cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 2-[[1-[(1,3-dihydro-1-oxo-2H-isoindol-2-yl)methyl]-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 707.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 381.7±32.9 °C
Index of Refraction: 1.630
Molar Refractivity: 118.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 17.40
ACD/KOC (pH 5.5): 136.28
ACD/LogD (pH 7.4): 0.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.15
Polar Surface Area: 78 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 59.6±3.0 dyne/cm
Molar Volume: 333.0±3.0 cm3

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