ChemSpider 2D Image | (6E)-6-{4-[2-(2-Chlorophenoxy)ethoxy]-3,5-dimethoxybenzylidene}-2-cyclohexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C28H29ClN4O5S

(6E)-6-{4-[2-(2-Chlorophenoxy)ethoxy]-3,5-dimethoxybenzylidene}-2-cyclohexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC28H29ClN4O5S
  • Average mass569.072 Da
  • Monoisotopic mass568.154724 Da
  • ChemSpider ID21261157

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-6-{4-[2-(2-Chlorophenoxy)ethoxy]-3,5-dimethoxybenzylidene}-2-cyclohexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6E)-6-{4-[2-(2-Chlorophénoxy)éthoxy]-3,5-diméthoxybenzylidène}-2-cyclohexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [French] [ACD/IUPAC Name]
(6E)-6-{4-[2-(2-Chlorphenoxy)ethoxy]-3,5-dimethoxybenzyliden}-2-cyclohexyl-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
7H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxyphenyl]methylene]-2-cyclohexyl-5,6-dihydro-5-imino-, (6E)- [ACD/Index Name]
(6E)-6-[[4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxyphenyl]methylidene]-2-cyclohexyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
6-{4-[2-(2-Chloro-phenoxy)-ethoxy]-3,5-dimethoxy-benzylidene}-2-cyclohexyl-5-imino-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
732251-64-8 [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: 694.0±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.7±3.0 kJ/mol
    Flash Point: 373.5±34.3 °C
    Index of Refraction: 1.664
    Molar Refractivity: 149.3±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.71
    ACD/LogD (pH 5.5): 4.35
    ACD/BCF (pH 5.5): 1182.59
    ACD/KOC (pH 5.5): 5509.76
    ACD/LogD (pH 7.4): 4.35
    ACD/BCF (pH 7.4): 1182.59
    ACD/KOC (pH 7.4): 5509.76
    Polar Surface Area: 131 Å2
    Polarizability: 59.2±0.5 10-24cm3
    Surface Tension: 53.5±7.0 dyne/cm
    Molar Volume: 402.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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