ChemSpider 2D Image | (3S,6S)-3-Methyl-6-{[1-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-2,5-piperazinedione | C19H23N3O2

(3S,6S)-3-Methyl-6-{[1-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-2,5-piperazinedione

  • Molecular FormulaC19H23N3O2
  • Average mass325.405 Da
  • Monoisotopic mass325.179016 Da
  • ChemSpider ID40256792

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,6S)-3-Methyl-6-{[1-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-2,5-piperazindion [German] [ACD/IUPAC Name]
(3S,6S)-3-Methyl-6-{[1-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-2,5-piperazinedione [ACD/IUPAC Name]
(3S,6S)-3-Méthyl-6-{[1-(2-méthyl-3-butén-2-yl)-1H-indol-3-yl]méthyl}-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-[[1-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl]methyl]-6-methyl-, (3S,6S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 611.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.9±31.5 °C
Index of Refraction: 1.615
Molar Refractivity: 94.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.91
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.80
ACD/KOC (pH 5.5): 404.64
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 30.80
ACD/KOC (pH 7.4): 404.64
Polar Surface Area: 63 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 269.5±7.0 cm3

Click to predict properties on the Chemicalize site


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