ChemSpider 2D Image | (6E)-6-{[1-(3-Chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-[2-(4-morpholinyl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | C25H25ClN6O4S

(6E)-6-{[1-(3-Chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-[2-(4-morpholinyl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

  • Molecular FormulaC25H25ClN6O4S
  • Average mass541.022 Da
  • Monoisotopic mass540.134644 Da
  • ChemSpider ID22870039

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E)-6-{[1-(3-Chlor-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylen}-5-imino-2-[2-(4-morpholinyl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-on [German] [ACD/IUPAC Name]
(6E)-6-{[1-(3-Chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-5-imino-2-[2-(4-morpholinyl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [ACD/IUPAC Name]
(6E)-6-{[1-(3-Chloro-4-méthoxyphényl)-2,5-diméthyl-1H-pyrrol-3-yl]méthylène}-5-imino-2-[2-(4-morpholinyl)-2-oxoéthyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-1,3,4-Thiadiazolo[3,2-a]pyrimidin-7-one, 6-[[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-5,6-dihydro-5-imino-2-[2-(4-morpholinyl)-2-oxoethyl]-, (6E)- [ACD/Index Name]
(6E)-6-[[1-(3-chloro-4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-morpholin-4-yl-2-oxoethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
(6E)-6-{[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-[2-(morpholin-4-yl)-2-oxoethyl]-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
847162-87-2 [RN]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 714.8±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 104.5±3.0 kJ/mol
    Flash Point: 386.1±35.7 °C
    Index of Refraction: 1.716
    Molar Refractivity: 141.2±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 2.69
    ACD/LogD (pH 5.5): 3.05
    ACD/BCF (pH 5.5): 122.98
    ACD/KOC (pH 5.5): 1090.19
    ACD/LogD (pH 7.4): 3.05
    ACD/BCF (pH 7.4): 122.98
    ACD/KOC (pH 7.4): 1090.19
    Polar Surface Area: 138 Å2
    Polarizability: 56.0±0.5 10-24cm3
    Surface Tension: 60.1±7.0 dyne/cm
    Molar Volume: 359.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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