ChemSpider 2D Image | (2E)-6-Acetyl-2-[4-(diethylamino)-2-methoxybenzylidene]-5-(2,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one | C29H33N3O5S

(2E)-6-Acetyl-2-[4-(diethylamino)-2-methoxybenzylidene]-5-(2,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one

  • Molecular FormulaC29H33N3O5S
  • Average mass535.654 Da
  • Monoisotopic mass535.214111 Da
  • ChemSpider ID4452242

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-6-Acetyl-2-[4-(diethylamino)-2-methoxybenzyliden]-5-(2,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-on [German] [ACD/IUPAC Name]
(2E)-6-Acetyl-2-[4-(diethylamino)-2-methoxybenzylidene]-5-(2,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one [ACD/IUPAC Name]
(2E)-6-Acétyl-2-[4-(diéthylamino)-2-méthoxybenzylidène]-5-(2,4-diméthoxyphényl)-7-méthyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidin-3(2H)-one, 6-acetyl-2-[[4-(diethylamino)-2-methoxyphenyl]methylene]-5-(2,4-dimethoxyphenyl)-7-methyl-, (2E)- [ACD/Index Name]
(2E)-6-acetyl-2-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-5-(2,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
292875-97-9 [RN]
6-Acetyl-2-(4-diethylamino-2-methoxy-benzylidene)-5-(2,4-dimethoxy-phenyl)-7-methyl-5H-thiazolo[3,2-a]pyrimidin-3-one
6-acetyl-2-{[4-(diethylamino)-2-methoxyphenyl]methylene}-5-(2,4-dimethoxyphenyl)-7-methyl-3-oxo-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine
ULTGCQWKOSKWFU-AFUMVMLFSA-N

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

A1987/0083530 [DBID]
AG-205/12610029 [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: 682.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 100.1±3.0 kJ/mol
    Flash Point: 366.5±34.3 °C
    Index of Refraction: 1.605
    Molar Refractivity: 149.4±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 6.28
    ACD/LogD (pH 5.5): 4.80
    ACD/BCF (pH 5.5): 2532.63
    ACD/KOC (pH 5.5): 9231.35
    ACD/LogD (pH 7.4): 4.84
    ACD/BCF (pH 7.4): 2801.17
    ACD/KOC (pH 7.4): 10210.19
    Polar Surface Area: 106 Å2
    Polarizability: 59.2±0.5 10-24cm3
    Surface Tension: 42.8±7.0 dyne/cm
    Molar Volume: 433.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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