Found 18 results

Search term: MF = 'C_{26}H_{26}F_{3}NO_{3}S'
ChemSpider 2D Image | 5-(2,3-Dimethoxybenzyl)-8-methoxy-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine | C26H26F3NO3S

5-(2,3-Dimethoxybenzyl)-8-methoxy-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine

  • Molecular FormulaC26H26F3NO3S
  • Average mass489.550 Da
  • Monoisotopic mass489.158539 Da
  • ChemSpider ID22214099

More details:

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

1,5-Benzothiazepine, 5-[(2,3-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-8-methoxy-2-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
5-(2,3-Dimethoxybenzyl)-8-methoxy-2-[3-(trifluormethyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepin [German] [ACD/IUPAC Name]
5-(2,3-Dimethoxybenzyl)-8-methoxy-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,5-benzothiazepine [ACD/IUPAC Name]
5-(2,3-Diméthoxybenzyl)-8-méthoxy-2-[3-(trifluorométhyl)phényl]-2,3,4,5-tétrahydro-1,5-benzothiazépine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 577.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 303.0±30.1 °C
Index of Refraction: 1.570
Molar Refractivity: 128.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 6.16
ACD/BCF (pH 5.5): 25087.39
ACD/KOC (pH 5.5): 42108.16
ACD/LogD (pH 7.4): 6.39
ACD/BCF (pH 7.4): 42562.20
ACD/KOC (pH 7.4): 71438.90
Polar Surface Area: 56 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 41.3±3.0 dyne/cm
Molar Volume: 392.5±3.0 cm3

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