ChemSpider 2D Image | Ethyl 4-oxo-5-[(3-phenylpropanoyl)amino]-3-[4-(trifluoromethyl)phenyl]-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate | C25H20F3N3O4S

Ethyl 4-oxo-5-[(3-phenylpropanoyl)amino]-3-[4-(trifluoromethyl)phenyl]-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate

  • Molecular FormulaC25H20F3N3O4S
  • Average mass515.504 Da
  • Monoisotopic mass515.112671 Da
  • ChemSpider ID3646884

More details:

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

4-Oxo-5-[(3-phénylpropanoyl)amino]-3-[4-(trifluorométhyl)phényl]-3,4-dihydrothiéno[3,4-d]pyridazine-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-oxo-5-[(3-phenylpropanoyl)amino]-3-[4-(trifluoromethyl)phenyl]-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate [ACD/IUPAC Name]
Ethyl-4-oxo-5-[(3-phenylpropanoyl)amino]-3-[4-(trifluormethyl)phenyl]-3,4-dihydrothieno[3,4-d]pyridazin-1-carboxylat [German] [ACD/IUPAC Name]
Thieno[3,4-d]pyridazine-1-carboxylic acid, 3,4-dihydro-4-oxo-5-[(1-oxo-3-phenylpropyl)amino]-3-[4-(trifluoromethyl)phenyl]-, ethyl ester [ACD/Index Name]
851951-47-8 [RN]
ethyl 4-oxo-5-(3-phenylpropanamido)-3-(4-(trifluoromethyl)phenyl)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
ethyl 4-oxo-5-(3-phenylpropanamido)-3-[4-(trifluoromethyl)phenyl]-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate
ethyl 4-oxo-5-(3-phenylpropanoylamino)-3-[4-(trifluoromethyl)phenyl]thieno[3,4-d]pyridazine-1-carboxylate

    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: 1.623
    Molar Refractivity: 129.3±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 1
    ACD/LogP: 4.47
    ACD/LogD (pH 5.5): 4.90
    ACD/BCF (pH 5.5): 3133.42
    ACD/KOC (pH 5.5): 11067.38
    ACD/LogD (pH 7.4): 4.90
    ACD/BCF (pH 7.4): 3133.41
    ACD/KOC (pH 7.4): 11067.35
    Polar Surface Area: 116 Å2
    Polarizability: 51.3±0.5 10-24cm3
    Surface Tension: 48.5±7.0 dyne/cm
    Molar Volume: 366.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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