ChemSpider 2D Image | (3S,6S)-3-{Methoxy[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-6-methyl-2,5-piperazinedione | C20H25N3O3

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

  • Molecular FormulaC20H25N3O3
  • Average mass355.431 Da
  • Monoisotopic mass355.189606 Da
  • ChemSpider ID40256791

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(3S,6S)-3-{Methoxy[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-6-methyl-2,5-piperazindion [German] [ACD/IUPAC Name]
(3S,6S)-3-{Methoxy[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-6-methyl-2,5-piperazinedione [ACD/IUPAC Name]
(3S,6S)-3-{Méthoxy[2-(2-méthyl-3-butén-2-yl)-1H-indol-3-yl]méthyl}-6-méthyl-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-[[2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl]methoxymethyl]-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: 629.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.7±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 100.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.84
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.66
ACD/KOC (pH 5.5): 412.75
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.66
ACD/KOC (pH 7.4): 412.75
Polar Surface Area: 83 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 304.2±3.0 cm3

Click to predict properties on the Chemicalize site


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