ChemSpider 2D Image | Isopropyl (2Z)-2-(4-acetoxybenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C26H23ClN2O5S

Isopropyl (2Z)-2-(4-acetoxybenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC26H23ClN2O5S
  • Average mass510.989 Da
  • Monoisotopic mass510.101624 Da
  • ChemSpider ID4730842

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-(4-Acétoxybenzylidène)-5-(4-chlorophényl)-7-méthyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'isopropyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[4-(acetyloxy)phenyl]methylene]-5-(4-chlorophenyl)-2,3-dihydro-7-methyl-3-oxo-, 1-methylethyl ester, (2Z)- [ACD/Index Name]
Isopropyl (2Z)-2-(4-acetoxybenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Isopropyl-(2Z)-2-(4-acetoxybenzyliden)-5-(4-chlorphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
(Z)-isopropyl 2-(4-acetoxybenzylidene)-5-(4-chlorophenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
354789-40-5 [RN]
AC1NYBGU
isopropyl 2-[4-(acetyloxy)benzylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
propan-2-yl (2Z)-2-[(4-acetyloxyphenyl)methylidene]-5-(4-chlorophenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
propan-2-yl (2Z)-2-[4-(acetyloxy)benzylidene]-5-(4-chlorophenyl)-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

AO-081/14338297 [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: 629.1±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 93.1±3.0 kJ/mol
    Flash Point: 334.2±34.3 °C
    Index of Refraction: 1.642
    Molar Refractivity: 136.2±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 5.92
    ACD/LogD (pH 5.5): 5.02
    ACD/BCF (pH 5.5): 3830.71
    ACD/KOC (pH 5.5): 12779.24
    ACD/LogD (pH 7.4): 5.02
    ACD/BCF (pH 7.4): 3830.71
    ACD/KOC (pH 7.4): 12779.24
    Polar Surface Area: 111 Å2
    Polarizability: 54.0±0.5 10-24cm3
    Surface Tension: 48.7±7.0 dyne/cm
    Molar Volume: 377.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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