ChemSpider 2D Image | N-DesmethylZolmitriptan | C15H19N3O2

N-DesmethylZolmitriptan

  • Molecular FormulaC15H19N3O2
  • Average mass273.330 Da
  • Monoisotopic mass273.147736 Da
  • ChemSpider ID30791509
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(4R)-4-({3-[2-(Methylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4R)-4-({3-[2-(Methylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4R)-4-({3-[2-(Méthylamino)éthyl]-1H-indol-5-yl}méthyl)-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 4-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-, (4R)- [ACD/Index Name]
N-DesmethylZolmitriptan
139264-35-0 [RN]
183C91

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

Density: 1.2±0.1 g/cm3
Boiling Point: 577.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.2±25.9 °C
Index of Refraction: 1.624
Molar Refractivity: 78.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): -1.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 53.8±3.0 dyne/cm
Molar Volume: 221.2±3.0 cm3

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