ChemSpider 2D Image | Ethyl (3S,4S)-9-benzoyl-3-(4-chlorophenyl)-3-ethyl-2-oxo-2,3,4,9-tetrahydropyrano[2,3-b]indole-4-carboxylate | C29H24ClNO5

Ethyl (3S,4S)-9-benzoyl-3-(4-chlorophenyl)-3-ethyl-2-oxo-2,3,4,9-tetrahydropyrano[2,3-b]indole-4-carboxylate

  • Molecular FormulaC29H24ClNO5
  • Average mass501.958 Da
  • Monoisotopic mass501.134308 Da
  • ChemSpider ID30659284

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-9-Benzoyl-3-(4-chlorophényl)-3-éthyl-2-oxo-2,3,4,9-tétrahydropyrano[2,3-b]indole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl (3S,4S)-9-benzoyl-3-(4-chlorophenyl)-3-ethyl-2-oxo-2,3,4,9-tetrahydropyrano[2,3-b]indole-4-carboxylate [ACD/IUPAC Name]
Ethyl-(3S,4S)-9-benzoyl-3-(4-chlorphenyl)-3-ethyl-2-oxo-2,3,4,9-tetrahydropyrano[2,3-b]indol-4-carboxylat [German] [ACD/IUPAC Name]
Pyrano[2,3-b]indole-4-carboxylic acid, 9-benzoyl-3-(4-chlorophenyl)-3-ethyl-2,3,4,9-tetrahydro-2-oxo-, ethyl ester, (3S,4S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 558.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.1±3.0 kJ/mol
Flash Point: 291.6±30.1 °C
Index of Refraction: 1.633
Molar Refractivity: 137.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8472.33
ACD/KOC (pH 5.5): 22555.62
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8472.33
ACD/KOC (pH 7.4): 22555.62
Polar Surface Area: 75 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 384.8±7.0 cm3

Click to predict properties on the Chemicalize site


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