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]-2-hydroxy-6-methyl-4H-pyran-4-one | C24H20F3NO5S

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

  • Molecular FormulaC24H20F3NO5S
  • Average mass491.479 Da
  • Monoisotopic mass491.101440 Da
  • ChemSpider ID114973679

More details:

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

3-[2-(3,4-Dimethoxyphenyl)-7-(trifluormethyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methyl-4H-pyran-4-on [German] [ACD/IUPAC Name]
3-[2-(3,4-Dimethoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methyl-4H-pyran-4-one [ACD/IUPAC Name]
3-[2-(3,4-Diméthoxyphényl)-7-(trifluorométhyl)-2,3-dihydro-1,5-benzothiazépin-4-yl]-2-hydroxy-6-méthyl-4H-pyran-4-one [French] [ACD/IUPAC Name]
4H-Pyran-4-one, 3-[2-(3,4-dimethoxyphenyl)-2,3-dihydro-7-(trifluoromethyl)-1,5-benzothiazepin-4-yl]-2-hydroxy-6-methyl- [ACD/Index Name]
3-[2-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-4-hydroxy-6-methylpyran-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: 596.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 314.6±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: 2.89
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 29.79
ACD/KOC (pH 5.5): 199.99
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.45
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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