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

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

  • Molecular FormulaC28H31N3O5S2
  • Average mass553.693 Da
  • Monoisotopic mass553.170532 Da
  • ChemSpider ID3648014

More details:

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

6-Benzyl-2-{[4-(1-pyrrolidinylsulfonyl)benzoyl]amino}-4,5,6,7-tétrahydrothiéno[2,3-c]pyridine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-benzyl-2-{[4-(1-pyrrolidinylsulfonyl)benzoyl]amino}-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate [ACD/IUPAC Name]
Ethyl-6-benzyl-2-{[4-(1-pyrrolidinylsulfonyl)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-pyrrolidinylsulfonyl)benzoyl]amino]-, ethyl ester [ACD/Index Name]
524063-66-9 [RN]
ethyl 6-benzyl-2-(4-(pyrrolidin-1-ylsulfonyl)benzamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
ethyl 6-benzyl-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
ethyl 6-benzyl-2-[4-(pyrrolidine-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: 1.649
    Molar Refractivity: 148.0±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 5.86
    ACD/LogD (pH 5.5): 4.34
    ACD/BCF (pH 5.5): 788.22
    ACD/KOC (pH 5.5): 2602.55
    ACD/LogD (pH 7.4): 5.02
    ACD/BCF (pH 7.4): 3779.17
    ACD/KOC (pH 7.4): 12478.09
    Polar Surface Area: 133 Å2
    Polarizability: 58.7±0.5 10-24cm3
    Surface Tension: 62.6±3.0 dyne/cm
    Molar Volume: 406.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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