ChemSpider 2D Image | (2Z)-2-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)benzylidene]-6-(4-methoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione | C28H31N3O4S

(2Z)-2-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)benzylidene]-6-(4-methoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione

  • Molecular FormulaC28H31N3O4S
  • Average mass505.628 Da
  • Monoisotopic mass505.203522 Da
  • ChemSpider ID1522245

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)benzyliden]-6-(4-methoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-3,7(2H)-dion [German] [ACD/IUPAC Name]
(2Z)-2-[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)benzylidene]-6-(4-methoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione [ACD/IUPAC Name]
(2Z)-2-[4-Hydroxy-3,5-bis(2-méthyl-2-propanyl)benzylidène]-6-(4-méthoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione [French] [ACD/IUPAC Name]
7H-Thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, 2-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methylene]-6-[(4-methoxyphenyl)methyl]-, (2Z)- [ACD/Index Name]
(2Z)-2-(3,5-di-tert-butyl-4-hydroxybenzylidene)-6-(4-methoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
(2Z)-2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
(2Z)-2-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-6-[(4-methoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
2-{[3,5-bis(tert-butyl)-4-hydroxyphenyl]methylene}-6-[(4-methoxyphenyl)methyl]-1,3-thiazolidino[3,2-b]1,2,4-triazine-3,7-dione
620539-31-3 [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: 606.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.4±3.0 kJ/mol
    Flash Point: 320.4±34.3 °C
    Index of Refraction: 1.621
    Molar Refractivity: 143.0±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 5.61
    ACD/LogD (pH 5.5): 5.44
    ACD/BCF (pH 5.5): 8007.46
    ACD/KOC (pH 5.5): 21661.98
    ACD/LogD (pH 7.4): 5.43
    ACD/BCF (pH 7.4): 7936.56
    ACD/KOC (pH 7.4): 21470.16
    Polar Surface Area: 117 Å2
    Polarizability: 56.7±0.5 10-24cm3
    Surface Tension: 45.0±7.0 dyne/cm
    Molar Volume: 406.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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