ChemSpider 2D Image | 2-[3-(7-Benzyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl]-1H-isoindole-1,3(2H)-dione | C27H24N6O2

2-[3-(7-Benzyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl]-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC27H24N6O2
  • Average mass464.518 Da
  • Monoisotopic mass464.196075 Da
  • ChemSpider ID21532938

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[3-[8,9-dimethyl-7-(phenylmethyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]propyl]- [ACD/Index Name]
2-[3-(7-Benzyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl]-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-[3-(7-Benzyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl]-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-[3-(7-Benzyl-8,9-diméthyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl]-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
2-(3-(7-benzyl-8,9-dimethyl-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)propyl)isoindoline-1,3-dione
2-[3-(6-Benzyl-7,8-dimethyl-6H-1,3,3a,5,6-pentaaza-as-indacen-2-yl)-propyl]-isoindole-1,3-dione
921089-83-0 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.733
    Molar Refractivity: 134.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 4.62
    ACD/LogD (pH 5.5): 4.08
    ACD/BCF (pH 5.5): 747.09
    ACD/KOC (pH 5.5): 3965.16
    ACD/LogD (pH 7.4): 4.08
    ACD/BCF (pH 7.4): 747.68
    ACD/KOC (pH 7.4): 3968.32
    Polar Surface Area: 85 Å2
    Polarizability: 53.1±0.5 10-24cm3
    Surface Tension: 58.4±7.0 dyne/cm
    Molar Volume: 335.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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