ChemSpider 2D Image | Methyl (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-5-(4-isopropoxy-3-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C27H26N2O7S

Methyl (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-5-(4-isopropoxy-3-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC27H26N2O7S
  • Average mass522.570 Da
  • Monoisotopic mass522.146057 Da
  • ChemSpider ID4775709

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(1,3-Benzodioxol-5-ylméthylène)-5-(4-isopropoxy-3-méthoxyphényl)-7-méthyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-(1,3-benzodioxol-5-ylmethylene)-2,3-dihydro-5-[3-methoxy-4-(1-methylethoxy)phenyl]-7-methyl-3-oxo-, methyl ester, (2Z)- [ACD/Index Name]
Methyl (2Z)-2-(1,3-benzodioxol-5-ylmethylene)-5-(4-isopropoxy-3-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Methyl-(2Z)-2-(1,3-benzodioxol-5-ylmethylen)-5-(4-isopropoxy-3-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
(Z)-methyl 2-(benzo[d][1,3]dioxol-5-ylmethylene)-5-(4-isopropoxy-3-methoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
497225-31-7 [RN]
AC1O0PW4
AKOS003195722
methyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-5-(3-methoxy-4-propan-2-yloxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
methyl (2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-5-[3-methoxy-4-(propan-2-yloxy)phenyl]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AN-988/40926145 [DBID]

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

    Density: 1.4±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: 1.646
    Molar Refractivity: 136.8±0.5 cm3
    #H bond acceptors: 9
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 5.75
    ACD/LogD (pH 5.5): 4.46
    ACD/BCF (pH 5.5): 1437.57
    ACD/KOC (pH 5.5): 6336.20
    ACD/LogD (pH 7.4): 4.46
    ACD/BCF (pH 7.4): 1437.57
    ACD/KOC (pH 7.4): 6336.20
    Polar Surface Area: 121 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 48.8±7.0 dyne/cm
    Molar Volume: 376.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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