ChemSpider 2D Image | 2-(7,8-Dimethoxy-1-oxo-2(1H)-phthalazinyl)-N-[(1S)-1-(1-isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]acetamide | C26H31N5O4

2-(7,8-Dimethoxy-1-oxo-2(1H)-phthalazinyl)-N-[(1S)-1-(1-isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]acetamide

  • Molecular FormulaC26H31N5O4
  • Average mass477.555 Da
  • Monoisotopic mass477.237610 Da
  • ChemSpider ID32514759

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2(1H)-Phthalazineacetamide, 7,8-dimethoxy-N-[(1S)-2-methyl-1-[1-(1-methylethyl)-1H-benzimidazol-2-yl]propyl]-1-oxo- [ACD/Index Name]
2-(7,8-Diméthoxy-1-oxo-2(1H)-phtalazinyl)-N-[(1S)-1-(1-isopropyl-1H-benzimidazol-2-yl)-2-méthylpropyl]acétamide [French] [ACD/IUPAC Name]
2-(7,8-Dimethoxy-1-oxo-2(1H)-phthalazinyl)-N-[(1S)-1-(1-isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]acetamid [German] [ACD/IUPAC Name]
2-(7,8-Dimethoxy-1-oxo-2(1H)-phthalazinyl)-N-[(1S)-1-(1-isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]acetamide [ACD/IUPAC Name]
1630927-44-4 [RN]
2-(7,8-dimethoxy-1-oxophthalazin-2(1H)-yl)-N-[(1S)-1-(1-isopropyl-1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
2-(7,8-dimethoxy-1-oxophthalazin-2-yl)-N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]acetamide
MolPort-035-704-514

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.626
    Molar Refractivity: 132.6±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.54
    ACD/LogD (pH 5.5): 2.78
    ACD/BCF (pH 5.5): 70.18
    ACD/KOC (pH 5.5): 654.76
    ACD/LogD (pH 7.4): 2.95
    ACD/BCF (pH 7.4): 102.16
    ACD/KOC (pH 7.4): 953.12
    Polar Surface Area: 98 Å2
    Polarizability: 52.6±0.5 10-24cm3
    Surface Tension: 45.2±7.0 dyne/cm
    Molar Volume: 374.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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