ChemSpider 2D Image | [1-({[(7,8-Dimethoxy-1-oxo-2(1H)-phthalazinyl)acetyl]amino}methyl)cyclohexyl]acetic acid | C21H27N3O6

[1-({[(7,8-Dimethoxy-1-oxo-2(1H)-phthalazinyl)acetyl]amino}methyl)cyclohexyl]acetic acid

  • Molecular FormulaC21H27N3O6
  • Average mass417.456 Da
  • Monoisotopic mass417.189972 Da
  • ChemSpider ID27327530

More details:

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

[1-({[(7,8-Dimethoxy-1-oxo-2(1H)-phthalazinyl)acetyl]amino}methyl)cyclohexyl]acetic acid [ACD/IUPAC Name]
[1-({[(7,8-Dimethoxy-1-oxo-2(1H)-phthalazinyl)acetyl]amino}methyl)cyclohexyl]essigsäure [German] [ACD/IUPAC Name]
Acide [1-({[2-(7,8-diméthoxy-1-oxo-2(1H)-phtalazinyl)acétyl]amino}méthyl)cyclohexyl]acétique [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 1-[[[2-(7,8-dimethoxy-1-oxo-2(1H)-phthalazinyl)acetyl]amino]methyl]- [ACD/Index Name]
(1-{[2-(7,8-Dimethoxy-1-oxo-1H-phthalazin-2-yl)-acetylamino]-methyl}-cyclohexyl)-acetic acid
[1-({[(7,8-dimethoxy-1-oxophthalazin-2(1H)-yl)acetyl]amino}methyl)cyclohexyl]acetic acid
1282119-05-4 [RN]
2-(1-((2-(7,8-dimethoxy-1-oxophthalazin-2(1H)-yl)acetamido)methyl)cyclohexyl)acetic acid
2-[1-[[[2-(7,8-dimethoxy-1-oxophthalazin-2-yl)acetyl]amino]methyl]cyclohexyl]acetic acid

    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: 1.612
    Molar Refractivity: 108.1±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 1.08
    ACD/LogD (pH 5.5): 0.62
    ACD/BCF (pH 5.5): 1.09
    ACD/KOC (pH 5.5): 21.41
    ACD/LogD (pH 7.4): -1.18
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 118 Å2
    Polarizability: 42.9±0.5 10-24cm3
    Surface Tension: 52.1±7.0 dyne/cm
    Molar Volume: 310.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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