ChemSpider 2D Image | (3R,6S)-3,6-Bis{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-2,5-piperazinedione | C32H36N4O2

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

  • Molecular FormulaC32H36N4O2
  • Average mass508.654 Da
  • Monoisotopic mass508.283813 Da
  • ChemSpider ID8990820

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,6S)-3,6-Bis{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-2,5-piperazindion [German] [ACD/IUPAC Name]
(3R,6S)-3,6-Bis{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methyl}-2,5-piperazinedione [ACD/IUPAC Name]
(3R,6S)-3,6-Bis{[2-(2-méthyl-3-butén-2-yl)-1H-indol-3-yl]méthyl}-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3,6-bis[[2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl]methyl]-, (3R,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: 785.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.3±3.0 kJ/mol
Flash Point: 428.9±32.9 °C
Index of Refraction: 1.635
Molar Refractivity: 153.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6937.72
ACD/KOC (pH 5.5): 19549.42
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6937.71
ACD/KOC (pH 7.4): 19549.38
Polar Surface Area: 90 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 51.7±3.0 dyne/cm
Molar Volume: 429.6±3.0 cm3

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