ChemSpider 2D Image | N-{[(1R,4aS,13cR)-12-Fluoro-7-isopropyl-1,4a-dimethyl-2,3,4,4a,9,13c-hexahydro-1H-dibenzo[a,c]carbazol-1-yl]methyl}acetamide | C28H33FN2O

N-{[(1R,4aS,13cR)-12-Fluoro-7-isopropyl-1,4a-dimethyl-2,3,4,4a,9,13c-hexahydro-1H-dibenzo[a,c]carbazol-1-yl]methyl}acetamide

  • Molecular FormulaC28H33FN2O
  • Average mass432.573 Da
  • Monoisotopic mass432.257690 Da
  • ChemSpider ID76768009

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

Acetamide, N-[[(1R,4aS,13cR)-12-fluoro-2,3,4,4a,9,13c-hexahydro-1,4a-dimethyl-7-(1-methylethyl)-1H-dibenzo[a,c]carbazol-1-yl]methyl]- [ACD/Index Name]
N-{[(1R,4aS,13cR)-12-Fluor-7-isopropyl-1,4a-dimethyl-2,3,4,4a,9,13c-hexahydro-1H-dibenzo[a,c]carbazol-1-yl]methyl}acetamid [German] [ACD/IUPAC Name]
N-{[(1R,4aS,13cR)-12-Fluoro-7-isopropyl-1,4a-dimethyl-2,3,4,4a,9,13c-hexahydro-1H-dibenzo[a,c]carbazol-1-yl]methyl}acetamide [ACD/IUPAC Name]
N-{[(1R,4aS,13cR)-12-Fluoro-7-isopropyl-1,4a-diméthyl-2,3,4,4a,9,13c-hexahydro-1H-dibenzo[a,c]carbazol-1-yl]méthyl}acétamide [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 630.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.3±28.7 °C
Index of Refraction: 1.594
Molar Refractivity: 128.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 7.31
ACD/LogD (pH 5.5): 7.15
ACD/BCF (pH 5.5): 161192.03
ACD/KOC (pH 5.5): 185777.61
ACD/LogD (pH 7.4): 7.15
ACD/BCF (pH 7.4): 161192.22
ACD/KOC (pH 7.4): 185777.81
Polar Surface Area: 45 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 378.0±3.0 cm3

Click to predict properties on the Chemicalize site


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