ChemSpider 2D Image | 2-[2,6-dichloro-4-[[6-ethoxycarbonyl-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid | C26H22Cl2N2O7S

2-[2,6-dichloro-4-[[6-ethoxycarbonyl-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid

  • Molecular FormulaC26H22Cl2N2O7S
  • Average mass577.433 Da
  • Monoisotopic mass576.052490 Da
  • ChemSpider ID4776215

  • Double-bond stereo - Double-bond stereo

More details:

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

(2,6-Dichlor-4-{(Z)-[6-(ethoxycarbonyl)-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-yliden]methyl}phenoxy)essigsäure [German] [ACD/IUPAC Name]
(2,6-Dichloro-4-{(Z)-[6-(ethoxycarbonyl)-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene]methyl}phenoxy)acetic acid [ACD/IUPAC Name]
2-[2,6-dichloro-4-[[6-ethoxycarbonyl-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[4-(carboxymethoxy)-3,5-dichlorophenyl]methylene]-2,3-dihydro-5-(3-methoxyphenyl)-7-methyl-3-oxo-, 6-ethyl ester, (2Z)- [ACD/Index Name]
Acide (2,6-dichloro-4-{(Z)-[6-(éthoxycarbonyl)-5-(3-méthoxyphényl)-7-méthyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidène]méthyl}phénoxy)acétique [French] [ACD/IUPAC Name]
(Z)-2-(2,6-dichloro-4-((6-(ethoxycarbonyl)-5-(3-methoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-2-ylidene)methyl)phenoxy)acetic acid
{2,6-dichloro-4-[(6-(ethoxycarbonyl)-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2(3H)-ylidene)methyl]phenoxy}acetic acid
2-[2,6-dichloro-4-[(Z)-[6-ethoxycarbonyl-5-(3-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]phenoxy]acetic acid
2-[4-[(Z)-[6-carbethoxy-3-keto-5-(3-methoxyphenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-2-ylidene]methyl]-2,6-dichloro-phenoxy]acetic acid
496936-88-0 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AO-081/15245014 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 732.1±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.5 mmHg at 25°C
    Enthalpy of Vaporization: 112.1±3.0 kJ/mol
    Flash Point: 396.6±35.7 °C
    Index of Refraction: 1.653
    Molar Refractivity: 143.2±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.74
    ACD/LogD (pH 5.5): 2.22
    ACD/BCF (pH 5.5): 6.59
    ACD/KOC (pH 5.5): 23.72
    ACD/LogD (pH 7.4): 1.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.15
    Polar Surface Area: 140 Å2
    Polarizability: 56.8±0.5 10-24cm3
    Surface Tension: 53.5±7.0 dyne/cm
    Molar Volume: 391.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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