ChemSpider 2D Image | (1'S,3S,7'S)-6'-Ethyl-1-methoxyspiro[indole-3,2'-[10]oxa[5]azatricyclo[5.3.1.0~4,8~]undec[5]en]-2(1H)-one | C19H22N2O3

(1'S,3S,7'S)-6'-Ethyl-1-methoxyspiro[indole-3,2'-[10]oxa[5]azatricyclo[5.3.1.04,8]undec[5]en]-2(1H)-one

  • Molecular FormulaC19H22N2O3
  • Average mass326.390 Da
  • Monoisotopic mass326.163055 Da
  • ChemSpider ID113610942

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(1'S,3S,7'S)-6'-Ethyl-1-methoxyspiro[indole-3,2'-[10]oxa[5]azatricyclo[5.3.1.04,8]undec[5]en]-2(1H)-one [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 463.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.5±3.0 kJ/mol
Flash Point: 234.2±31.5 °C
Index of Refraction: 1.712
Molar Refractivity: 88.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 8.16
ACD/KOC (pH 5.5): 58.17
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 167.99
ACD/KOC (pH 7.4): 1197.32
Polar Surface Area: 51 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 54.4±7.0 dyne/cm
Molar Volume: 225.2±7.0 cm3

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