ChemSpider 2D Image | (3S)-3,5-Bis(6-bromo-1H-indol-3-yl)-3,6-dihydro-2(1H)-pyrazinone | C20H14Br2N4O

(3S)-3,5-Bis(6-bromo-1H-indol-3-yl)-3,6-dihydro-2(1H)-pyrazinone

  • Molecular FormulaC20H14Br2N4O
  • Average mass486.159 Da
  • Monoisotopic mass483.953430 Da
  • ChemSpider ID61713690

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3,5-Bis(6-brom-1H-indol-3-yl)-3,6-dihydro-2(1H)-pyrazinon [German] [ACD/IUPAC Name]
(3S)-3,5-Bis(6-bromo-1H-indol-3-yl)-3,6-dihydro-2(1H)-pyrazinone [ACD/IUPAC Name]
(3S)-3,5-Bis(6-bromo-1H-indol-3-yl)-3,6-dihydro-2(1H)-pyrazinone [French] [ACD/IUPAC Name]
2(1H)-Pyrazinone, 3,5-bis(6-bromo-1H-indol-3-yl)-3,6-dihydro-, (3S)- [ACD/Index Name]
(3s,5r)-3,5-Bis(6-Bromo-1h-Indol-3-Yl)piperazin-2-One
09C

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

Density: 1.9±0.1 g/cm3
Boiling Point: 778.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 424.5±32.9 °C
Index of Refraction: 1.820
Molar Refractivity: 110.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 208.64
ACD/KOC (pH 5.5): 1586.46
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 210.99
ACD/KOC (pH 7.4): 1604.33
Polar Surface Area: 73 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 67.1±7.0 dyne/cm
Molar Volume: 253.1±7.0 cm3

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