ChemSpider 2D Image | Ethyl 4-{[2,2-dimethyl-5-(4-morpholinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}butanoate | C24H30N4O4S2

Ethyl 4-{[2,2-dimethyl-5-(4-morpholinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}butanoate

  • Molecular FormulaC24H30N4O4S2
  • Average mass502.649 Da
  • Monoisotopic mass502.170837 Da
  • ChemSpider ID2906365

More details:

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

4-{[2,2-Diméthyl-5-(4-morpholinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thiéno[3,2-d]pyrimidin-8-yl]sulfanyl}butanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[1,4-dihydro-2,2-dimethyl-5-(4-morpholinyl)-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]thio]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[2,2-dimethyl-5-(4-morpholinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}butanoate [ACD/IUPAC Name]
Ethyl-4-{[2,2-dimethyl-5-(4-morpholinyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}butanoat [German] [ACD/IUPAC Name]
848220-04-2 [RN]
ethyl 4-((2,2-dimethyl-5-morpholino-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)thio)butanoate
ethyl 4-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}butanoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 710.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 103.9±3.0 kJ/mol
    Flash Point: 383.6±32.9 °C
    Index of Refraction: 1.663
    Molar Refractivity: 136.0±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: 3.26
    ACD/LogD (pH 5.5): 3.64
    ACD/BCF (pH 5.5): 341.27
    ACD/KOC (pH 5.5): 2247.12
    ACD/LogD (pH 7.4): 3.65
    ACD/BCF (pH 7.4): 350.02
    ACD/KOC (pH 7.4): 2304.77
    Polar Surface Area: 140 Å2
    Polarizability: 53.9±0.5 10-24cm3
    Surface Tension: 70.4±5.0 dyne/cm
    Molar Volume: 367.0±5.0 cm3

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