ChemSpider 2D Image | 6-(2-{4-[(2,4-Dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)nicotinic acid | C18H16N2O5S

6-(2-{4-[(2,4-Dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)nicotinic acid

  • Molecular FormulaC18H16N2O5S
  • Average mass372.395 Da
  • Monoisotopic mass372.078003 Da
  • ChemSpider ID21896652

More details:

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

3-Pyridinecarboxylic acid, 6-[2-[4-[(2,4-dioxo-5-thiazolidinyl)methyl]phenoxy]ethyl]- [ACD/Index Name]
6-(2-{4-[(2,4-Dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)nicotinic acid [ACD/IUPAC Name]
6-(2-{4-[(2,4-Dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy}ethyl)nicotinsäure [German] [ACD/IUPAC Name]
Acide 6-(2-{4-[(2,4-dioxo-1,3-thiazolidin-5-yl)méthyl]phénoxy}éthyl)nicotinique [French] [ACD/IUPAC Name]
186751-40-6 [RN]
3-Pyridinecarboxylicacid, 6-[2-[4-[(2,4-dioxo-5-thiazolidinyl)methyl]phenoxy]ethyl]-
5-Desethyl 5-Carboxy Pioglitazone
6-(2-(4-((2,4-Dioxothiazolidin-5-yl)methyl)phenoxy)ethyl)nicotinic acid
6-(2-{4-[(2,4-DIOXO-1,3-THIAZOLIDIN-5-YL)METHYL]PHENOXY}ETHYL)PYRIDINE-3-CARBOXYLIC ACID
MFCD12031529

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 655.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 101.4±3.0 kJ/mol
    Flash Point: 350.0±31.5 °C
    Index of Refraction: 1.649
    Molar Refractivity: 95.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.37
    ACD/LogD (pH 5.5): -0.41
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.73
    ACD/LogD (pH 7.4): -2.27
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 131 Å2
    Polarizability: 37.9±0.5 10-24cm3
    Surface Tension: 67.3±3.0 dyne/cm
    Molar Volume: 262.5±3.0 cm3

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