ChemSpider 2D Image | 2-[2-(1H-Indol-3-yl)ethyl]-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenyl-2,6,7,8-tetrahydro-7-isoquinolinyl cyclopentanecarboxylate | C37H38N2O6

2-[2-(1H-Indol-3-yl)ethyl]-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenyl-2,6,7,8-tetrahydro-7-isoquinolinyl cyclopentanecarboxylate

  • Molecular FormulaC37H38N2O6
  • Average mass606.707 Da
  • Monoisotopic mass606.273010 Da
  • ChemSpider ID20576808

More details:

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

2-[2-(1H-Indol-3-yl)ethyl]-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenyl-2,6,7,8-tetrahydro-7-isochinolinyl-cyclopentancarboxylat [German] [ACD/IUPAC Name]
2-[2-(1H-Indol-3-yl)ethyl]-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenyl-2,6,7,8-tetrahydro-7-isoquinolinyl cyclopentanecarboxylate [ACD/IUPAC Name]
3-Isoquinolinebutanoic acid, 7-[(cyclopentylcarbonyl)oxy]-2,6,7,8-tetrahydro-2-[2-(1H-indol-3-yl)ethyl]-7-methyl-6,8-dioxo-5-phenyl-, methyl ester [ACD/Index Name]
Cyclopentanecarboxylate de 2-[2-(1H-indol-3-yl)éthyl]-3-(4-méthoxy-4-oxobutyl)-7-méthyl-6,8-dioxo-5-phényl-2,6,7,8-tétrahydro-7-isoquinoléinyle [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: 790.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 432.1±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 170.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.31
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 10732.04
ACD/KOC (pH 5.5): 26714.72
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 10732.11
ACD/KOC (pH 7.4): 26714.90
Polar Surface Area: 106 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 62.2±5.0 dyne/cm
Molar Volume: 465.2±5.0 cm3

Click to predict properties on the Chemicalize site


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