ChemSpider 2D Image | (3S,4S,7aS)-2,4-Dimethyl-1-oxo-3-[(2,6,7-tribromo-1-methyl-1H-indol-3-yl)methyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-4-ium | C18H21Br3N3O

(3S,4S,7aS)-2,4-Dimethyl-1-oxo-3-[(2,6,7-tribromo-1-methyl-1H-indol-3-yl)methyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-4-ium

  • Molecular FormulaC18H21Br3N3O
  • Average mass535.090 Da
  • Monoisotopic mass531.922913 Da
  • ChemSpider ID40256551

  • Charge - Charge

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3S,4S,7aS)-2,4-Dimethyl-1-oxo-3-[(2,6,7-tribrom-1-methyl-1H-indol-3-yl)methyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-4-ium [German] [ACD/IUPAC Name]
(3S,4S,7aS)-2,4-Dimethyl-1-oxo-3-[(2,6,7-tribromo-1-methyl-1H-indol-3-yl)methyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-4-ium [ACD/IUPAC Name]
(3S,4S,7aS)-2,4-Diméthyl-1-oxo-3-[(2,6,7-tribromo-1-méthyl-1H-indol-3-yl)méthyl]hexahydro-1H-pyrrolo[1,2-c]imidazol-4-ium [French] [ACD/IUPAC Name]
1H-Pyrrolo[1,2-c]imidazolium, hexahydro-2,4-dimethyl-1-oxo-3-[(2,6,7-tribromo-1-methyl-1H-indol-3-yl)methyl]-, (3S,4S,7aS)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 0.93
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 27.44
ACD/LogD (pH 7.4): 0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.44
Polar Surface Area: 25 Å2
Polarizability:
Surface Tension:
Molar Volume:

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