ChemSpider 2D Image | 1,1'-propane-1,3-diylbis[N-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide] | C27H26N6O4S2

1,1'-propane-1,3-diylbis[N-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide]

  • Molecular FormulaC27H26N6O4S2
  • Average mass562.663 Da
  • Monoisotopic mass562.145691 Da
  • ChemSpider ID21470729

More details:

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

1,1'-(1,3-Propandiyl)bis[N-(1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidincarboxamid] [German] [ACD/IUPAC Name]
1,1'-(1,3-Propanediyl)bis[N-(1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide] [ACD/IUPAC Name]
1,1'-(1,3-Propanediyl)bis[N-(1,3-benzothiazol-2-yl)-5-oxo-3-pyrrolidinecarboxamide] [French] [ACD/IUPAC Name]
1,1'-propane-1,3-diylbis[N-(1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide]
3-Pyrrolidinecarboxamide, 1,1'-(1,3-propanediyl)bis[N-2-benzothiazolyl-5-oxo- [ACD/Index Name]
1,1'-propane-1,3-diylbis(N-1,3-benzothiazol-2-yl-5-oxopyrrolidine-3-carboxamide)
MFCD02103129
N-(1,3-BENZOTHIAZOL-2-YL)-1-[3-[4-(1,3-BENZOTHIAZOL-2-YLCARBAMOYL)-2-OXOPYRROLIDIN-1-YL]PROPYL]-5-OXOPYRROLIDINE-3-CARBOXAMIDE

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.752
    Molar Refractivity: 152.4±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 2.44
    ACD/LogD (pH 5.5): 2.60
    ACD/BCF (pH 5.5): 55.52
    ACD/KOC (pH 5.5): 616.97
    ACD/LogD (pH 7.4): 2.59
    ACD/BCF (pH 7.4): 54.26
    ACD/KOC (pH 7.4): 602.88
    Polar Surface Area: 181 Å2
    Polarizability: 60.4±0.5 10-24cm3
    Surface Tension: 85.6±3.0 dyne/cm
    Molar Volume: 373.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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