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Search term: KXOAXKOLNSGHMX (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Methyl 6-benzyl-2-{[4-(1-piperidinylsulfonyl)benzoyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate | C28H31N3O5S2

Methyl 6-benzyl-2-{[4-(1-piperidinylsulfonyl)benzoyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

  • Molecular FormulaC28H31N3O5S2
  • Average mass553.693 Da
  • Monoisotopic mass553.170532 Da
  • ChemSpider ID3347951

More details:






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

6-Benzyl-2-{[4-(1-pipéridinylsulfonyl)benzoyl]amino}-4,5,6,7-tétrahydrothiéno[2,3-c]pyridine-3-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-benzyl-2-{[4-(1-piperidinylsulfonyl)benzoyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate [ACD/IUPAC Name]
Methyl-6-benzyl-2-{[4-(1-piperidinylsulfonyl)benzoyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-carboxylat [German] [ACD/IUPAC Name]
Thieno[2,3-c]pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-6-(phenylmethyl)-2-[[4-(1-piperidinylsulfonyl)benzoyl]amino]-, methyl ester [ACD/Index Name]
524679-87-6 [RN]
methyl 6-benzyl-2-(4-(piperidin-1-ylsulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
methyl 6-benzyl-2-[(4-piperidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
methyl 6-benzyl-2-[4-(piperidine-1-sulfonyl)benzamido]-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-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: 1.647
    Molar Refractivity: 148.0±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 2
    ACD/LogP: 5.90
    ACD/LogD (pH 5.5): 4.49
    ACD/BCF (pH 5.5): 1032.50
    ACD/KOC (pH 5.5): 3129.68
    ACD/LogD (pH 7.4): 5.19
    ACD/BCF (pH 7.4): 5096.29
    ACD/KOC (pH 7.4): 15447.68
    Polar Surface Area: 133 Å2
    Polarizability: 58.7±0.5 10-24cm3
    Surface Tension: 61.9±3.0 dyne/cm
    Molar Volume: 407.2±3.0 cm3

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