ChemSpider 2D Image | (2S,11R)-3-(cyclopropylmethyl)-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2,6-methano-3-benzazocin-1(2H)-one | C19H25NO2

(2S,11R)-3-(cyclopropylmethyl)-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2,6-methano-3-benzazocin-1(2H)-one

  • Molecular FormulaC19H25NO2
  • Average mass299.407 Da
  • Monoisotopic mass299.188538 Da
  • ChemSpider ID23238076

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,11R)-3-(cyclopropylmethyl)-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2,6-methano-3-benzazocin-1(2H)-one
(9S,13R)-10-(Cyclopropylmethyl)-1-ethyl-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-on [German] [ACD/IUPAC Name]
(9S,13R)-10-(Cyclopropylmethyl)-1-ethyl-4-hydroxy-13-methyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-8-one [ACD/IUPAC Name]
(9S,13R)-10-(Cyclopropylméthyl)-1-éthyl-4-hydroxy-13-méthyl-10-azatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-8-one [French] [ACD/IUPAC Name]
2,6-Methano-3-benzazocin-1(2H)-one, 3-(cyclopropylmethyl)-6-ethyl-3,4,5,6-tetrahydro-8-hydroxy-11-methyl-, (2S,11R)- [ACD/Index Name]
10-cyclopropylmethyl-1-ethyl-4-hydroxy-13-methyl-(1R,9S,13R)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL422551/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 461.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 232.7±28.7 °C
Index of Refraction: 1.591
Molar Refractivity: 86.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.04
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 24.73
ACD/KOC (pH 5.5): 151.07
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 278.17
ACD/KOC (pH 7.4): 1699.25
Polar Surface Area: 41 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 255.7±3.0 cm3

Click to predict properties on the Chemicalize site


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