ChemSpider 2D Image | Dolasetron | C19H20N2O3

Dolasetron

  • Molecular FormulaC19H20N2O3
  • Average mass324.374 Da
  • Monoisotopic mass324.147400 Da
  • ChemSpider ID30845229
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(1s,3R,5r,7S)-10-Oxo-8-azatricyclo[5.3.1.03,8]undec-5-yl 1H-indole-3-carboxylate [ACD/IUPAC Name]
(1s,3R,5r,7S)-10-Oxo-8-azatricyclo[5.3.1.03,8]undec-5-yl-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]
1H-Indole-3-carboxylate de (1s,3R,5r,7S)-10-oxo-8-azatricyclo[5.3.1.03,8]undéc-5-yle [French] [ACD/IUPAC Name]
1H-Indole-3-carboxylic acid, (6R,9aS)-octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl ester [ACD/Index Name]
Dolasetron [Wiki]
10.1016/j.bmcl.2005.01.008
115956-12-2 [RN]
Dolas??tron
Dolasétron
Dolasetron; Dolas??tron; Dolasetron; Dolasetronum
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

82WI2L7Q6E [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 535.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.4±30.1 °C
Index of Refraction: 1.676
Molar Refractivity: 88.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 9.25
ACD/KOC (pH 5.5): 99.95
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 57.28
ACD/KOC (pH 7.4): 618.74
Polar Surface Area: 62 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 236.1±5.0 cm3

Click to predict properties on the Chemicalize site






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