ChemSpider 2D Image | 2-({2-[(5-Chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-3-carboxamide | C17H14ClN3O5S2

2-({2-[(5-Chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-3-carboxamide

  • Molecular FormulaC17H14ClN3O5S2
  • Average mass439.893 Da
  • Monoisotopic mass439.006348 Da
  • ChemSpider ID26043542

More details:

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

2-({2-[(5-Chlor-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridin-3-carboxamid [German] [ACD/IUPAC Name]
2-({2-[(5-Chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-3-carboxamide [ACD/IUPAC Name]
2-({2-[(5-Chloro-2-méthoxyphényl)amino]-2-oxoéthyl}sulfanyl)-7-hydroxy-5-oxo-4,5-dihydrothiéno[3,2-b]pyridine-3-carboxamide [French] [ACD/IUPAC Name]
Thieno[3,2-b]pyridine-3-carboxamide, 2-[[2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl]thio]-4,5-dihydro-7-hydroxy-5-oxo- [ACD/Index Name]
1189250-97-2 [RN]
2-({2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-5,7-dihydroxythieno[3,2-b]pyridine-3-carboxamide
2-[(5-Chloro-2-methoxy-phenylcarbamoyl)-methylsulfanyl]-5,7-dihydroxy-thieno[3,2-b]pyridine-3-carboxylic acid amide
2-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 796.3±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 119.8±3.0 kJ/mol
    Flash Point: 435.4±32.9 °C
    Index of Refraction: 1.771
    Molar Refractivity: 108.6±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 2.56
    ACD/LogD (pH 5.5): -0.57
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.88
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 188 Å2
    Polarizability: 43.1±0.5 10-24cm3
    Surface Tension: 101.0±5.0 dyne/cm
    Molar Volume: 261.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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