ChemSpider 2D Image | MFCD00809384 | C28H31N3O4S

MFCD00809384

  • Molecular FormulaC28H31N3O4S
  • Average mass505.628 Da
  • Monoisotopic mass505.203522 Da
  • ChemSpider ID4659150

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[4-(Diéthylamino)benzylidène]-5-(4-méthoxyphényl)-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, 2-[[4-(diethylamino)phenyl]methylene]-2,3-dihydro-5-(4-methoxyphenyl)-7-methyl-3-oxo-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-2-[4-(diethylamino)benzylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2E)-2-[4-(diethylamino)benzyliden]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
MFCD00809384
(E)-ethyl 2-(4-(diethylamino)benzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
327032-62-2 [RN]
ethyl (2E)-2-[[4-(diethylamino)phenyl]methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl (2E)-2-{[4-(diethylamino)phenyl]methylidene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[4-(diethylamino)phenyl]methylene}-5-(4-methoxyphenyl)-7-methyl-3-oxo-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AG-690/36826036 [DBID]
BAS 00436786 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 647.3±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.5±3.0 kJ/mol
    Flash Point: 345.3±34.3 °C
    Index of Refraction: 1.613
    Molar Refractivity: 143.7±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 7.03
    ACD/LogD (pH 5.5): 5.07
    ACD/BCF (pH 5.5): 3930.20
    ACD/KOC (pH 5.5): 12126.26
    ACD/LogD (pH 7.4): 5.17
    ACD/BCF (pH 7.4): 5024.13
    ACD/KOC (pH 7.4): 15501.47
    Polar Surface Area: 97 Å2
    Polarizability: 57.0±0.5 10-24cm3
    Surface Tension: 44.5±7.0 dyne/cm
    Molar Volume: 412.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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