ChemSpider 2D Image | Methyl 4-[2-({4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl}amino)-1,3-thiazol-4-yl]benzoate | C28H31N3O5S2

Methyl 4-[2-({4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl}amino)-1,3-thiazol-4-yl]benzoate

  • Molecular FormulaC28H31N3O5S2
  • Average mass553.693 Da
  • Monoisotopic mass553.170532 Da
  • ChemSpider ID4251334

More details:

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

4-[2-({4-[(1,3,3-Triméthyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl}amino)-1,3-thiazol-4-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[2-[[4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl]amino]-4-thiazolyl]-, methyl ester [ACD/Index Name]
Methyl 4-[2-({4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl}amino)-1,3-thiazol-4-yl]benzoate [ACD/IUPAC Name]
Methyl-4-[2-({4-[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)sulfonyl]benzoyl}amino)-1,3-thiazol-4-yl]benzoat [German] [ACD/IUPAC Name]
361173-94-6 [RN]
methyl 4-(2-(4-((1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)sulfonyl)benzamido)thiazol-4-yl)benzoate
methyl 4-[2-[[4-[(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)sulfonyl]benzoyl]amino]-1,3-thiazol-4-yl]benzoate
methyl 4-{2-[4-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}sulfonyl)benzamido]-1,3-thiazol-4-yl}benzoate

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

EU-0006364 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.616
    Molar Refractivity: 146.5±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 6.70
    ACD/LogD (pH 5.5): 6.05
    ACD/BCF (pH 5.5): 22628.85
    ACD/KOC (pH 5.5): 44350.67
    ACD/LogD (pH 7.4): 5.16
    ACD/BCF (pH 7.4): 2980.35
    ACD/KOC (pH 7.4): 5841.24
    Polar Surface Area: 142 Å2
    Polarizability: 58.1±0.5 10-24cm3
    Surface Tension: 55.4±3.0 dyne/cm
    Molar Volume: 419.2±3.0 cm3

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