ChemSpider 2D Image | (2s,5r,7s)-2-(1-Ethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol | C20H27N3O

(2s,5r,7s)-2-(1-Ethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

  • Molecular FormulaC20H27N3O
  • Average mass325.448 Da
  • Monoisotopic mass325.215424 Da
  • ChemSpider ID76832371

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2s,5r,7s)-2-(1-Ethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol [German] [ACD/IUPAC Name]
(2s,5r,7s)-2-(1-Ethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol [ACD/IUPAC Name]
(2s,5r,7s)-2-(1-Éthyl-1H-indol-3-yl)-5,7-diméthyl-1,3-diazatricyclo[3.3.1.13,7]décan-6-ol [French] [ACD/IUPAC Name]
1,3-Diazatricyclo[3.3.1.13,7]decan-6-ol, 2-(1-ethyl-1H-indol-3-yl)-5,7-dimethyl- [ACD/Index 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: 498.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 255.2±28.7 °C
Index of Refraction: 1.688
Molar Refractivity: 95.2±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 6.75
ACD/KOC (pH 5.5): 80.48
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 40.63
ACD/KOC (pH 7.4): 484.21
Polar Surface Area: 32 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 249.7±7.0 cm3

Click to predict properties on the Chemicalize site


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