ChemSpider 2D Image | Ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate | C30H31N5O3S

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

  • Molecular FormulaC30H31N5O3S
  • Average mass541.664 Da
  • Monoisotopic mass541.214783 Da
  • ChemSpider ID4779231

  • Double-bond stereo - Double-bond stereo

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

(2Z)-5-[4-(Diméthylamino)phényl]-2-[(3,5-diméthyl-1-phényl-1H-pyrazol-4-yl)méthylène]-7-méthyl-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-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-7-methyl-3-oxo-, ethyl ester, (2Z)- [ACD/Index Name]
Ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2Z)-5-[4-(dimethylamino)phenyl]-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylen]-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
(Z)-ethyl 2-((3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene)-5-(4-(dimethylamino)phenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
492455-87-5 [RN]
AC1O0CLN
AKOS003919727
ethyl (2Z)-5-(4-dimethylaminophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl (2Z)-5-[4-(dimethylamino)phenyl]-2-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-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

AK-968/41021946 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 681.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.9±3.0 kJ/mol
    Flash Point: 365.8±34.3 °C
    Index of Refraction: 1.656
    Molar Refractivity: 155.8±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.47
    ACD/LogD (pH 5.5): 5.20
    ACD/BCF (pH 5.5): 5058.47
    ACD/KOC (pH 5.5): 14942.40
    ACD/LogD (pH 7.4): 5.26
    ACD/BCF (pH 7.4): 5864.90
    ACD/KOC (pH 7.4): 17324.52
    Polar Surface Area: 105 Å2
    Polarizability: 61.8±0.5 10-24cm3
    Surface Tension: 47.8±7.0 dyne/cm
    Molar Volume: 424.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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