ChemSpider 2D Image | (9Z)-9-[(1R,5S)-8-Azabicyclo[3.2.1]oct-3-ylidene]-N,N-diethyl-9H-xanthene-3-carboxamide | C25H28N2O2

(9Z)-9-[(1R,5S)-8-Azabicyclo[3.2.1]oct-3-ylidene]-N,N-diethyl-9H-xanthene-3-carboxamide

  • Molecular FormulaC25H28N2O2
  • Average mass388.502 Da
  • Monoisotopic mass388.215088 Da
  • ChemSpider ID32698772

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9Z)-9-[(1R,5S)-8-Azabicyclo[3.2.1]oct-3-yliden]-N,N-diethyl-9H-xanthen-3-carboxamid [German] [ACD/IUPAC Name]
(9Z)-9-[(1R,5S)-8-Azabicyclo[3.2.1]oct-3-ylidene]-N,N-diethyl-9H-xanthene-3-carboxamide [ACD/IUPAC Name]
(9Z)-9-[(1R,5S)-8-Azabicyclo[3.2.1]oct-3-ylidène]-N,N-diéthyl-9H-xanthène-3-carboxamide [French] [ACD/IUPAC Name]
9H-Xanthene-3-carboxamide, 9-[(1R,5S)-8-azabicyclo[3.2.1]oct-3-ylidene]-N,N-diethyl-, (9Z)- [ACD/Index Name]
825649-28-3 [RN]
JNJ-20788560

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

Density: 1.2±0.1 g/cm3
Boiling Point: 567.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.2±3.0 kJ/mol
Flash Point: 297.2±30.1 °C
Index of Refraction: 1.616
Molar Refractivity: 114.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.01
ACD/LogD (pH 5.5): 1.99
ACD/BCF (pH 5.5): 3.44
ACD/KOC (pH 5.5): 11.11
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 6.15
ACD/KOC (pH 7.4): 19.88
Polar Surface Area: 42 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 327.3±3.0 cm3

Click to predict properties on the Chemicalize site


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