ChemSpider 2D Image | Maedamine B | C22H22Br3N3O3

Maedamine B

  • Molecular FormulaC22H22Br3N3O3
  • Average mass616.140 Da
  • Monoisotopic mass612.921082 Da
  • ChemSpider ID8945421

More details:

Featured data source
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2(1H)-Pyrazinone, 3-[(3-bromo-4-methoxyphenyl)methyl]-5-[3,5-dibromo-4-[3-(methylamino)propoxy]phenyl]- [ACD/Index Name]
3-(3-Brom-4-methoxybenzyl)-5-{3,5-dibrom-4-[3-(methylamino)propoxy]phenyl}-2(1H)-pyrazinon [German] [ACD/IUPAC Name]
3-(3-Bromo-4-methoxybenzyl)-5-{3,5-dibromo-4-[3-(methylamino)propoxy]phenyl}-2(1H)-pyrazinone [ACD/IUPAC Name]
3-(3-Bromo-4-méthoxybenzyl)-5-{3,5-dibromo-4-[3-(méthylamino)propoxy]phényl}-2(1H)-pyrazinone [French] [ACD/IUPAC Name]
ma'edamine B
Maedamine B

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 131.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 2.51
ACD/KOC (pH 5.5): 8.90
ACD/LogD (pH 7.4): 2.23
ACD/BCF (pH 7.4): 6.66
ACD/KOC (pH 7.4): 23.58
Polar Surface Area: 72 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 361.3±7.0 cm3

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