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Search term: OEHOCIQYICKICV-QFIPXVFZSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2S)-1-{[6-Ethyl-5-(6-isoquinolinyl)-3-pyridinyl]oxy}-3-(1H-indol-3-yl)-2-propanamine | C27H26N4O

(2S)-1-{[6-Ethyl-5-(6-isoquinolinyl)-3-pyridinyl]oxy}-3-(1H-indol-3-yl)-2-propanamine

  • Molecular FormulaC27H26N4O
  • Average mass422.522 Da
  • Monoisotopic mass422.210663 Da
  • ChemSpider ID24637769

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1-{[6-Ethyl-5-(6-isochinolinyl)-3-pyridinyl]oxy}-3-(1H-indol-3-yl)-2-propanamin [German] [ACD/IUPAC Name]
(2S)-1-{[6-Éthyl-5-(6-isoquinoléinyl)-3-pyridinyl]oxy}-3-(1H-indol-3-yl)-2-propanamine [French] [ACD/IUPAC Name]
(2S)-1-{[6-Ethyl-5-(6-isoquinolinyl)-3-pyridinyl]oxy}-3-(1H-indol-3-yl)-2-propanamine [ACD/IUPAC Name]
1H-Indole-3-ethanamine, α-[[[6-ethyl-5-(6-isoquinolinyl)-3-pyridinyl]oxy]methyl]-, (αS)- [ACD/Index Name]
(S)-1-(6-ethyl-5-(isoquinolin-6-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 694.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.0±31.5 °C
Index of Refraction: 1.689
Molar Refractivity: 130.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.73
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 24.08
ACD/KOC (pH 7.4): 119.52
Polar Surface Area: 77 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 342.3±3.0 cm3

Click to predict properties on the Chemicalize site


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