ChemSpider 2D Image | (2Z)-6-Benzyl-2-[3-methoxy-4-(octyloxy)benzylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione | C28H31N3O4S

(2Z)-6-Benzyl-2-[3-methoxy-4-(octyloxy)benzylidene]-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 ID1508607

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-6-Benzyl-2-[3-methoxy-4-(octyloxy)benzyliden]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-3,7(2H)-dion [German] [ACD/IUPAC Name]
(2Z)-6-Benzyl-2-[3-methoxy-4-(octyloxy)benzylidene]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione [ACD/IUPAC Name]
(2Z)-6-Benzyl-2-[3-méthoxy-4-(octyloxy)benzylidène]-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-methoxy-4-(octyloxy)phenyl]methylene]-6-(phenylmethyl)-, (2Z)- [ACD/Index Name]
(2Z)-6-benzyl-2-[(3-methoxy-4-octoxyphenyl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
(2Z)-6-benzyl-2-{[3-methoxy-4-(octyloxy)phenyl]methylidene}-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
2-[(3-methoxy-4-octyloxyphenyl)methylene]-6-benzyl-1,3-thiazolidino[3,2-b]1,2,4-triazine-3,7-dione
797770-00-4 [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: 640.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 94.5±3.0 kJ/mol
    Flash Point: 341.0±34.3 °C
    Index of Refraction: 1.618
    Molar Refractivity: 143.4±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 12
    #Rule of 5 Violations: 2
    ACD/LogP: 6.40
    ACD/LogD (pH 5.5): 6.37
    ACD/BCF (pH 5.5): 41151.36
    ACD/KOC (pH 5.5): 69913.20
    ACD/LogD (pH 7.4): 6.37
    ACD/BCF (pH 7.4): 41151.36
    ACD/KOC (pH 7.4): 69913.20
    Polar Surface Area: 106 Å2
    Polarizability: 56.8±0.5 10-24cm3
    Surface Tension: 47.4±7.0 dyne/cm
    Molar Volume: 409.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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