ChemSpider 2D Image | 2-{3-[1-({Ethyl[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino}methyl)-9H-beta-carbolin-9-yl]propyl}-1H-isoindole-1,3(2H)-dione | C34H33N5O2

2-{3-[1-({Ethyl[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino}methyl)-9H-β-carbolin-9-yl]propyl}-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC34H33N5O2
  • Average mass543.658 Da
  • Monoisotopic mass543.263428 Da
  • ChemSpider ID76821633

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[3-[1-[[ethyl[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino]methyl]-9H-pyrido[3,4-b]indol-9-yl]propyl]- [ACD/Index Name]
2-{3-[1-({Ethyl[(8S)-5,6,7,8-tetrahydro-8-chinolinyl]amino}methyl)-9H-β-carbolin-9-yl]propyl}-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{3-[1-({Éthyl[(8S)-5,6,7,8-tétrahydro-8-quinoléinyl]amino}méthyl)-9H-β-carbolin-9-yl]propyl}-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-{3-[1-({Ethyl[(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino}methyl)-9H-β-carbolin-9-yl]propyl}-1H-isoindole-1,3(2H)-dione [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: 702.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.8±3.0 kJ/mol
Flash Point: 378.5±32.9 °C
Index of Refraction: 1.703
Molar Refractivity: 160.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.04
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 18.63
ACD/KOC (pH 5.5): 45.28
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 285.55
ACD/KOC (pH 7.4): 694.01
Polar Surface Area: 71 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 414.9±7.0 cm3

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