Found 378 results

Search term: MF = 'C_{26}H_{27}ClN_{4}O_{4}S'
ChemSpider 2D Image | (6E)-2-Butyl-6-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxybenzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C26H27ClN4O4S

(6E)-2-Butyl-6-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxybenzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC26H27ClN4O4S
  • Average mass527.035 Da
  • Monoisotopic mass526.144165 Da
  • ChemSpider ID21811279

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-2-Butyl-6-{4-[2-(4-chlor-3-methylphenoxy)ethoxy]-3-methoxybenzyliden}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6E)-2-Butyl-6-{4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxybenzylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6E)-2-Butyl-6-{4-[2-(4-chloro-3-méthylphénoxy)éthoxy]-3-méthoxybenzylidène}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-7-one, 2-butyl-6-[[4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl]methylene]-5,6-dihydro-5-imino-, (6E)- [ACD/Index Name]
(6E)-2-butyl-6-[[4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
2-Butyl-6-{4-[2-(4-chloro-3-methyl-phenoxy)-ethoxy]-3-methoxy-benzylidene}-5-imino-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
434321-12-7 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 657.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 96.9±3.0 kJ/mol
    Flash Point: 351.7±34.3 °C
    Index of Refraction: 1.640
    Molar Refractivity: 141.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.09
    ACD/LogD (pH 5.5): 5.07
    ACD/BCF (pH 5.5): 4181.07
    ACD/KOC (pH 5.5): 13605.39
    ACD/LogD (pH 7.4): 5.07
    ACD/BCF (pH 7.4): 4181.07
    ACD/KOC (pH 7.4): 13605.39
    Polar Surface Area: 122 Å2
    Polarizability: 55.9±0.5 10-24cm3
    Surface Tension: 49.6±7.0 dyne/cm
    Molar Volume: 391.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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