ChemSpider 2D Image | Ethyl (2Z)-5-[4-(dimethylamino)phenyl]-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C27H27N3O5S

Ethyl (2Z)-5-[4-(dimethylamino)phenyl]-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

  • Molecular FormulaC27H27N3O5S
  • Average mass505.585 Da
  • Monoisotopic mass505.167145 Da
  • ChemSpider ID4775466

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-5-[4-(Diméthylamino)phényl]-7-méthyl-2-[(6-méthyl-1,3-benzodioxol-5-yl)méthylène]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 5-[4-(dimethylamino)phenyl]-2,3-dihydro-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)methylene]-3-oxo-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-5-[4-(dimethylamino)phenyl]-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)methylene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2Z)-5-[4-(dimethylamino)phenyl]-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)methylen]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
(Z)-ethyl 5-(4-(dimethylamino)phenyl)-7-methyl-2-((6-methylbenzo[d][1,3]dioxol-5-yl)methylene)-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
371142-61-9 [RN]
5-(4-Dimethylamino-phenyl)-7-methyl-2-(6-methyl-benzo[1,3]dioxol-5-ylmethylene)-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
ethyl (2Z)-5-[4-(dimethylamino)phenyl]-7-methyl-2-[(6-methyl-1,3-benzodioxol-5-yl)methylidene]-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
VATQZPQDAIPFME-XKZIYDEJSA-N

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

AN-988/15131386 [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: 646.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.4±3.0 kJ/mol
    Flash Point: 345.0±34.3 °C
    Index of Refraction: 1.658
    Molar Refractivity: 138.0±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 6.24
    ACD/LogD (pH 5.5): 4.07
    ACD/BCF (pH 5.5): 701.41
    ACD/KOC (pH 5.5): 3631.75
    ACD/LogD (pH 7.4): 4.13
    ACD/BCF (pH 7.4): 814.03
    ACD/KOC (pH 7.4): 4214.86
    Polar Surface Area: 106 Å2
    Polarizability: 54.7±0.5 10-24cm3
    Surface Tension: 49.1±7.0 dyne/cm
    Molar Volume: 374.6±7.0 cm3

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