ChemSpider 2D Image | 5-Butyl-3-(2,4-dimethoxybenzyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl valerate | C30H34N4O4

5-Butyl-3-(2,4-dimethoxybenzyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl valerate

  • Molecular FormulaC30H34N4O4
  • Average mass514.615 Da
  • Monoisotopic mass514.257996 Da
  • ChemSpider ID4071314

More details:

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

5-Butyl-3-(2,4-dimethoxybenzyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl valerate [ACD/IUPAC Name]
5-Butyl-3-(2,4-dimethoxybenzyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-ylvalerat [German] [ACD/IUPAC Name]
Pentanoic acid, 5-butyl-3-[(2,4-dimethoxyphenyl)methyl]-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl ester [ACD/Index Name]
Valérate de 5-butyl-3-(2,4-diméthoxybenzyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yle [French] [ACD/IUPAC Name]
3-[(2,4-dimethoxyphenyl)methyl]-5-butyl-6-hydrobenzimidazolo[1,2-e]pyrrolo[2,3-d]pyrimidinyl pentanoate
5-butyl-3-(2,4-dimethoxybenzyl)-3H-benzo[4,5]imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-1-yl pentanoate
5-butyl-3-(2,4-dimethoxybenzyl)-3H-pyrrolo[2',3':4,5]pyrimido[1,6-a]benzimidazol-1-yl pentanoate
885178-50-7 [RN]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.620
    Molar Refractivity: 146.4±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 6.49
    ACD/LogD (pH 5.5): 6.12
    ACD/BCF (pH 5.5): 26188.69
    ACD/KOC (pH 5.5): 50475.50
    ACD/LogD (pH 7.4): 6.12
    ACD/BCF (pH 7.4): 26396.97
    ACD/KOC (pH 7.4): 50876.95
    Polar Surface Area: 80 Å2
    Polarizability: 58.0±0.5 10-24cm3
    Surface Tension: 45.1±7.0 dyne/cm
    Molar Volume: 416.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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