ChemSpider 2D Image | Ethyl 5-acetyl-2-{[(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino}-4-methyl-3-thiophenecarboxylate | C29H24N4O4S

Ethyl 5-acetyl-2-{[(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino}-4-methyl-3-thiophenecarboxylate

  • Molecular FormulaC29H24N4O4S
  • Average mass524.590 Da
  • Monoisotopic mass524.151855 Da
  • ChemSpider ID1373958

More details:

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

3-Thiophenecarboxylic acid, 5-acetyl-2-[[(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino]-4-methyl-, ethyl ester [ACD/Index Name]
5-Acétyl-2-{[(5,7-diphénylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino}-4-méthyl-3-thiophènecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-acetyl-2-{[(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino}-4-methyl-3-thiophenecarboxylate [ACD/IUPAC Name]
Ethyl-5-acetyl-2-{[(5,7-diphenylpyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino}-4-methyl-3-thiophencarboxylat [German] [ACD/IUPAC Name]
312635-79-3 [RN]
AC1LWLNI
AGN-PC-0K8OKU
AKOS001608612
ethyl 5-acetyl-2-(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamido)-4-methylthiophene-3-carboxylate
ethyl 5-acetyl-2-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-4-methylthiophene-3-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AG-690/37054028 [DBID]
BAS 00615949 [DBID]
ZINC02070768 [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: 1.679
    Molar Refractivity: 147.8±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 7.06
    ACD/LogD (pH 5.5): 5.19
    ACD/BCF (pH 5.5): 4736.42
    ACD/KOC (pH 5.5): 13275.33
    ACD/LogD (pH 7.4): 3.90
    ACD/BCF (pH 7.4): 242.57
    ACD/KOC (pH 7.4): 679.88
    Polar Surface Area: 131 Å2
    Polarizability: 58.6±0.5 10-24cm3
    Surface Tension: 53.1±7.0 dyne/cm
    Molar Volume: 391.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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