Found 47 results

Search term: MF = 'C_{24}H_{20}F_{3}NO_{5}S'
ChemSpider 2D Image | 3-[2-(3,4-Dimethoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-hydroxy-6-methyl-2H-pyran-2-one | C24H20F3NO5S

3-[2-(3,4-Dimethoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-hydroxy-6-methyl-2H-pyran-2-one

  • Molecular FormulaC24H20F3NO5S
  • Average mass491.479 Da
  • Monoisotopic mass491.101440 Da
  • ChemSpider ID21522775

More details:

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

2H-Pyran-2-one, 3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-7-(trifluoromethyl)-1,5-benzothiazepin-4-yl]-4-hydroxy-6-methyl- [ACD/Index Name]
3-[2-(3,4-Dimethoxyphenyl)-7-(trifluormethyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-hydroxy-6-methyl-2H-pyran-2-on [German] [ACD/IUPAC Name]
3-[2-(3,4-Dimethoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-hydroxy-6-methyl-2H-pyran-2-one [ACD/IUPAC Name]
3-[2-(3,4-Diméthoxyphényl)-7-(trifluorométhyl)-2,3-dihydro-1,5-benzothiazépin-4-yl]-4-hydroxy-6-méthyl-2H-pyran-2-one [French] [ACD/IUPAC Name]
3-(2-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-2,3-dihydrobenzo[b][1,4]thiazepin-4-yl)-4-hydroxy-6-methyl-2H-pyran-2-one
370078-30-1 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 572.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.3±3.0 kJ/mol
    Flash Point: 299.9±30.1 °C
    Index of Refraction: 1.599
    Molar Refractivity: 119.3±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.78
    ACD/LogD (pH 5.5): 2.29
    ACD/BCF (pH 5.5): 12.06
    ACD/KOC (pH 5.5): 64.71
    ACD/LogD (pH 7.4): 0.78
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 2.04
    Polar Surface Area: 103 Å2
    Polarizability: 47.3±0.5 10-24cm3
    Surface Tension: 42.7±7.0 dyne/cm
    Molar Volume: 349.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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