ChemSpider 2D Image | Org 28312 | C24H35N3O2

Org 28312

  • Molecular FormulaC24H35N3O2
  • Average mass397.554 Da
  • Monoisotopic mass397.272919 Da
  • ChemSpider ID24581999
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

[1-(Cyclohexylmethyl)-7-methoxy-1H-indol-3-yl][(3R,5S)-3,4,5-trimethyl-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
[1-(Cyclohexylmethyl)-7-methoxy-1H-indol-3-yl][(3R,5S)-3,4,5-trimethyl-1-piperazinyl]methanone [ACD/IUPAC Name]
[1-(Cyclohexylméthyl)-7-méthoxy-1H-indol-3-yl][(3R,5S)-3,4,5-triméthyl-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [1-(cyclohexylmethyl)-7-methoxy-1H-indol-3-yl][(3R,5S)-3,4,5-trimethyl-1-piperazinyl]- [ACD/Index Name]
Org 28312 [Wiki]
10.1016/j.bmcl.2011.01.082

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 555.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 290.0±30.1 °C
Index of Refraction: 1.606
Molar Refractivity: 116.3±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.16
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 7.37
ACD/KOC (pH 5.5): 34.70
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 355.94
ACD/KOC (pH 7.4): 1676.67
Polar Surface Area: 38 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 42.0±7.0 dyne/cm
Molar Volume: 337.4±7.0 cm3

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