ChemSpider 2D Image | (2Z)-2-[4-(Hexyloxy)-3-methoxybenzylidene]-6-(4-propoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione | C29H33N3O5S

(2Z)-2-[4-(Hexyloxy)-3-methoxybenzylidene]-6-(4-propoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione

  • Molecular FormulaC29H33N3O5S
  • Average mass535.654 Da
  • Monoisotopic mass535.214111 Da
  • ChemSpider ID5019717

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-[4-(Hexyloxy)-3-methoxybenzyliden]-6-(4-propoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-3,7(2H)-dion [German] [ACD/IUPAC Name]
(2Z)-2-[4-(Hexyloxy)-3-methoxybenzylidene]-6-(4-propoxybenzyl)-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione [ACD/IUPAC Name]
(2Z)-2-[4-(Hexyloxy)-3-méthoxybenzylidène]-6-(4-propoxybenzyl)-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-[[4-(hexyloxy)-3-methoxyphenyl]methylene]-6-[(4-propoxyphenyl)methyl]-, (2Z)- [ACD/Index Name]
(2Z)-2-[(4-hexoxy-3-methoxyphenyl)methylidene]-6-[(4-propoxyphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
(2Z)-2-{[4-(hexyloxy)-3-methoxyphenyl]methylidene}-6-[(4-propoxyphenyl)methyl]-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7-dione
2-[(4-hexyloxy-3-methoxyphenyl)methylene]-6-[(4-propoxyphenyl)methyl]-1,3-thiazolidino[3,2-b]1,2,4-triazine-3,7-dione
620540-50-3 [RN]
AC1O6V2T
AKOS002226260
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 666.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.0±3.0 kJ/mol
    Flash Point: 356.8±34.3 °C
    Index of Refraction: 1.609
    Molar Refractivity: 149.2±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 6.32
    ACD/LogD (pH 5.5): 5.55
    ACD/BCF (pH 5.5): 9703.72
    ACD/KOC (pH 5.5): 24856.51
    ACD/LogD (pH 7.4): 5.55
    ACD/BCF (pH 7.4): 9703.72
    ACD/KOC (pH 7.4): 24856.51
    Polar Surface Area: 115 Å2
    Polarizability: 59.1±0.5 10-24cm3
    Surface Tension: 46.4±7.0 dyne/cm
    Molar Volume: 430.8±7.0 cm3

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