ChemSpider 2D Image | Dimethyl 5-[({[5-(5-methyl-2-furyl)-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]isophthalate | C29H23N3O7S2

Dimethyl 5-[({[5-(5-methyl-2-furyl)-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]isophthalate

  • Molecular FormulaC29H23N3O7S2
  • Average mass589.639 Da
  • Monoisotopic mass589.097717 Da
  • ChemSpider ID1597556

More details:

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

1,3-Benzenedicarboxylic acid, 5-[[2-[[3,4-dihydro-5-(5-methyl-2-furanyl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]thio]acetyl]amino]-, dimethyl ester [ACD/Index Name]
5-[(2-{[5-(5-Méthyl-2-furyl)-4-oxo-3-phényl-3,4-dihydrothiéno[2,3-d]pyrimidin-2-yl]sulfanyl}acétyl)amino]isophtalate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 5-[({[5-(5-methyl-2-furyl)-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]isophthalate [ACD/IUPAC Name]
Dimethyl-5-[({[5-(5-methyl-2-furyl)-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetyl)amino]isophthalat [German] [ACD/IUPAC Name]
1,3-dimethyl 5-(2-{[5-(5-methylfuran-2-yl)-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamido)benzene-1,3-dicarboxylate
112632-96-9 [RN]
379236-40-5 [RN]
dimethyl 5-(2-((5-(5-methylfuran-2-yl)-4-oxo-3-phenyl-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)isophthalate
dimethyl 5-[[2-[5-(5-methylfuran-2-yl)-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]amino]benzene-1,3-dicarboxylate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.684
    Molar Refractivity: 156.2±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 3
    ACD/LogP: 6.38
    ACD/LogD (pH 5.5): 5.03
    ACD/BCF (pH 5.5): 3881.92
    ACD/KOC (pH 5.5): 12901.28
    ACD/LogD (pH 7.4): 5.03
    ACD/BCF (pH 7.4): 3881.87
    ACD/KOC (pH 7.4): 12901.13
    Polar Surface Area: 181 Å2
    Polarizability: 61.9±0.5 10-24cm3
    Surface Tension: 57.1±7.0 dyne/cm
    Molar Volume: 411.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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