ChemSpider 2D Image | (3R,5S)-3,5-Bis(6-bromo-1H-indol-3-yl)-2-piperazinone | C20H16Br2N4O

(3R,5S)-3,5-Bis(6-bromo-1H-indol-3-yl)-2-piperazinone

  • Molecular FormulaC20H16Br2N4O
  • Average mass488.175 Da
  • Monoisotopic mass485.969086 Da
  • ChemSpider ID74094315

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,5S)-3,5-Bis(6-brom-1H-indol-3-yl)-2-piperazinon [German] [ACD/IUPAC Name]
(3R,5S)-3,5-Bis(6-bromo-1H-indol-3-yl)-2-piperazinone [ACD/IUPAC Name]
(3R,5S)-3,5-Bis(6-bromo-1H-indol-3-yl)-2-pipérazinone [French] [ACD/IUPAC Name]
2-Piperazinone, 3,5-bis(6-bromo-1H-indol-3-yl)-, (3R,5S)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4534089/

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

Density: 1.7±0.1 g/cm3
Boiling Point: 786.0±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: 429.2±32.9 °C
Index of Refraction: 1.748
Molar Refractivity: 114.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 55.63
ACD/KOC (pH 5.5): 389.65
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 267.89
ACD/KOC (pH 7.4): 1876.53
Polar Surface Area: 73 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 66.2±3.0 dyne/cm
Molar Volume: 280.6±3.0 cm3

Click to predict properties on the Chemicalize site


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