ChemSpider 2D Image | 1-[(5-Isopropyl-2-methoxy-4-methylphenyl)sulfonyl]-4-piperidinecarboxylic acid | C17H25NO5S

1-[(5-Isopropyl-2-methoxy-4-methylphenyl)sulfonyl]-4-piperidinecarboxylic acid

  • Molecular FormulaC17H25NO5S
  • Average mass355.449 Da
  • Monoisotopic mass355.145355 Da
  • ChemSpider ID21658820

More details:

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

1-[(5-Isopropyl-2-methoxy-4-methylphenyl)sulfonyl]-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-[(5-Isopropyl-2-methoxy-4-methylphenyl)sulfonyl]-4-piperidinecarboxylic acid [ACD/IUPAC Name]
1-[(5-Isopropyl-2-methoxy-4-methylphenyl)sulfonyl]piperidine-4-carboxylic acid
4-Piperidinecarboxylic acid, 1-[[2-methoxy-4-methyl-5-(1-methylethyl)phenyl]sulfonyl]- [ACD/Index Name]
Acide 1-[(5-isopropyl-2-méthoxy-4-méthylphényl)sulfonyl]-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]
1-((5-isopropyl-2-methoxy-4-methylphenyl)sulfonyl)piperidine-4-carboxylic acid
1-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperidine-4-carboxylic acid
1-[2-methoxy-4-methyl-5-(propan-2-yl)benzenesulfonyl]piperidine-4-carboxylic acid
1-{[2-methoxy-4-methyl-5-(methylethyl)phenyl]sulfonyl}piperidine-4-carboxylic acid
942702-24-1 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 541.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 86.3±3.0 kJ/mol
    Flash Point: 281.5±32.9 °C
    Index of Refraction: 1.551
    Molar Refractivity: 91.7±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.21
    ACD/LogD (pH 5.5): 1.90
    ACD/BCF (pH 5.5): 8.57
    ACD/KOC (pH 5.5): 74.54
    ACD/LogD (pH 7.4): 0.11
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.20
    Polar Surface Area: 92 Å2
    Polarizability: 36.3±0.5 10-24cm3
    Surface Tension: 47.4±3.0 dyne/cm
    Molar Volume: 287.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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