ChemSpider 2D Image | Ethyl 4-({[(3-{4-[(2-furylmethyl)amino]-4-oxobutyl}-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetyl}amino)benzoate | C28H28N4O6S

Ethyl 4-({[(3-{4-[(2-furylmethyl)amino]-4-oxobutyl}-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetyl}amino)benzoate

  • Molecular FormulaC28H28N4O6S
  • Average mass548.610 Da
  • Monoisotopic mass548.172974 Da
  • ChemSpider ID2807488

More details:

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

4-({2-[(3-{4-[(2-Furylméthyl)amino]-4-oxobutyl}-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acétyl}amino)benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[2-[[3-[4-[(2-furanylmethyl)amino]-4-oxobutyl]-3,4-dihydro-4-oxo-2-quinazolinyl]thio]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-({[(3-{4-[(2-furylmethyl)amino]-4-oxobutyl}-4-oxo-3,4-dihydro-2-quinazolinyl)sulfanyl]acetyl}amino)benzoate [ACD/IUPAC Name]
Ethyl-4-({[(3-{4-[(2-furylmethyl)amino]-4-oxobutyl}-4-oxo-3,4-dihydro-2-chinazolinyl)sulfanyl]acetyl}amino)benzoat [German] [ACD/IUPAC Name]
451465-34-2 [RN]
ethyl 4-({[(3-{4-[(2-furylmethyl)amino]-4-oxobutyl}-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetyl}amino)benzoate
ethyl 4-(2-((3-(4-((furan-2-ylmethyl)amino)-4-oxobutyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetamido)benzoate
ethyl 4-(2-{[3-(3-{[(furan-2-yl)methyl]carbamoyl}propyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate

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

ChemDiv1_013192 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.645
    Molar Refractivity: 148.3±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 3.96
    ACD/LogD (pH 5.5): 3.29
    ACD/BCF (pH 5.5): 184.92
    ACD/KOC (pH 5.5): 1459.86
    ACD/LogD (pH 7.4): 3.29
    ACD/BCF (pH 7.4): 184.92
    ACD/KOC (pH 7.4): 1459.85
    Polar Surface Area: 156 Å2
    Polarizability: 58.8±0.5 10-24cm3
    Surface Tension: 54.7±7.0 dyne/cm
    Molar Volume: 409.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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