ChemSpider 2D Image | Ethyl 5-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-methylphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate | C23H17ClN4O6S

Ethyl 5-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-methylphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate

  • Molecular FormulaC23H17ClN4O6S
  • Average mass512.922 Da
  • Monoisotopic mass512.055725 Da
  • ChemSpider ID3402331

More details:

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

5-[(4-Chloro-3-nitrobenzoyl)amino]-3-(4-méthylphényl)-4-oxo-3,4-dihydrothiéno[3,4-d]pyridazine-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-methylphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate [ACD/IUPAC Name]
Ethyl-5-[(4-chlor-3-nitrobenzoyl)amino]-3-(4-methylphenyl)-4-oxo-3,4-dihydrothieno[3,4-d]pyridazin-1-carboxylat [German] [ACD/IUPAC Name]
Thieno[3,4-d]pyridazine-1-carboxylic acid, 5-[(4-chloro-3-nitrobenzoyl)amino]-3,4-dihydro-3-(4-methylphenyl)-4-oxo-, ethyl ester [ACD/Index Name]
851948-44-2 [RN]
ethyl 5-(4-chloro-3-nitrobenzamido)-3-(4-methylphenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate
ethyl 5-(4-chloro-3-nitrobenzamido)-4-oxo-3-(p-tolyl)-3,4-dihydrothieno[3,4-d]pyridazine-1-carboxylate
ethyl 5-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-methylphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate

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

    Density: 1.5±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.706
    Molar Refractivity: 130.1±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 4.19
    ACD/LogD (pH 5.5): 4.36
    ACD/BCF (pH 5.5): 1207.40
    ACD/KOC (pH 5.5): 5592.18
    ACD/LogD (pH 7.4): 4.36
    ACD/BCF (pH 7.4): 1203.08
    ACD/KOC (pH 7.4): 5572.21
    Polar Surface Area: 162 Å2
    Polarizability: 51.6±0.5 10-24cm3
    Surface Tension: 63.0±7.0 dyne/cm
    Molar Volume: 334.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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