ChemSpider 2D Image | N,N'-{[(1R,2R,3S,4S)-3,4-Bis(2-amino-2H-imidazol-4-yl)-1,2-cyclobutanediyl]bis(methylene)}bis(4-bromo-1H-pyrrole-2-carboxamide) | C22H24Br2N10O2

N,N'-{[(1R,2R,3S,4S)-3,4-Bis(2-amino-2H-imidazol-4-yl)-1,2-cyclobutanediyl]bis(methylene)}bis(4-bromo-1H-pyrrole-2-carboxamide)

  • Molecular FormulaC22H24Br2N10O2
  • Average mass620.300 Da
  • Monoisotopic mass618.045044 Da
  • ChemSpider ID64853331

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

1H-Pyrrole-2-carboxamide, N,N'-[[(1R,2R,3S,4S)-3,4-bis(2-amino-2H-imidazol-4-yl)-1,2-cyclobutanediyl]bis(methylene)]bis[4-bromo- [ACD/Index Name]
N,N'-{[(1R,2R,3S,4S)-3,4-Bis(2-amino-2H-imidazol-4-yl)-1,2-cyclobutandiyl]dimethylen}bis(4-brom-1H-pyrrol-2-carboxamid) [German] [ACD/IUPAC Name]
N,N'-{[(1R,2R,3S,4S)-3,4-Bis(2-amino-2H-imidazol-4-yl)-1,2-cyclobutanediyl]bis(methylene)}bis(4-bromo-1H-pyrrole-2-carboxamide) [ACD/IUPAC Name]
N,N'-{[(1R,2R,3S,4S)-3,4-Bis(2-amino-2H-imidazol-4-yl)-1,2-cyclobutanediyl]diméthylène}bis(4-bromo-1H-pyrrole-2-carboxamide) [French] [ACD/IUPAC Name]

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

    Density: 2.1±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.893
    Molar Refractivity: 136.3±0.5 cm3
    #H bond acceptors: 12
    #H bond donors: 8
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 3
    ACD/LogP: -0.36
    ACD/LogD (pH 5.5): -4.02
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.91
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 191 Å2
    Polarizability: 54.0±0.5 10-24cm3
    Surface Tension: 87.4±7.0 dyne/cm
    Molar Volume: 294.6±7.0 cm3

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