ChemSpider 2D Image | 2-Bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate | C23H18BrN3O5S

2-Bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate

  • Molecular FormulaC23H18BrN3O5S
  • Average mass528.375 Da
  • Monoisotopic mass527.015076 Da
  • ChemSpider ID1494694

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Brom-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-yliden]methyl}phenyl-acetat [German] [ACD/IUPAC Name]
2-Bromo-6-methoxy-4-{(Z)-[6-(4-methylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidene]methyl}phenyl acetate [ACD/IUPAC Name]
7H-Thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione, 2-[[4-(acetyloxy)-3-bromo-5-methoxyphenyl]methylene]-6-[(4-methylphenyl)methyl]-, (2Z)- [ACD/Index Name]
Acétate de 2-bromo-6-méthoxy-4-{(Z)-[6-(4-méthylbenzyl)-3,7-dioxo-7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2(3H)-ylidène]méthyl}phényle [French] [ACD/IUPAC Name]
(Z)-2-bromo-6-methoxy-4-((6-(4-methylbenzyl)-3,7-dioxo-3,7-dihydro-2H-thiazolo[3,2-b][1,2,4]triazin-2-ylidene)methyl)phenyl acetate
[2-bromo-6-methoxy-4-[(Z)-[6-[(4-methylphenyl)methyl]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl]phenyl] acetate
2-bromo-6-methoxy-4-({6-[(4-methylphenyl)methyl]-3,7-dioxo(1,3-thiazolidino[3,2-b]1,2,4-triazin-2-ylidene)}methyl)phenyl acetate
2-bromo-6-methoxy-4-{[(2Z)-6-[(4-methylphenyl)methyl]-3,7-dioxo-2H,3H,7H-[1,3]thiazolo[3,2-b][1,2,4]triazin-2-ylidene]methyl}phenyl acetate
620539-11-9 [RN]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 625.5±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.6±3.0 kJ/mol
    Flash Point: 332.1±34.3 °C
    Index of Refraction: 1.686
    Molar Refractivity: 128.6±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 3.46
    ACD/LogD (pH 5.5): 4.02
    ACD/BCF (pH 5.5): 665.74
    ACD/KOC (pH 5.5): 3651.93
    ACD/LogD (pH 7.4): 4.02
    ACD/BCF (pH 7.4): 665.74
    ACD/KOC (pH 7.4): 3651.93
    Polar Surface Area: 123 Å2
    Polarizability: 51.0±0.5 10-24cm3
    Surface Tension: 55.6±7.0 dyne/cm
    Molar Volume: 337.9±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement