ChemSpider 2D Image | 6-(4-Fluorophenyl)-11-methyl-9-oxo-7,9-dihydro-6H-pyrido[2,1-d][1,5]benzothiazepine-8-carboxylic acid | C21H16FNO3S

6-(4-Fluorophenyl)-11-methyl-9-oxo-7,9-dihydro-6H-pyrido[2,1-d][1,5]benzothiazepine-8-carboxylic acid

  • Molecular FormulaC21H16FNO3S
  • Average mass381.420 Da
  • Monoisotopic mass381.083496 Da
  • ChemSpider ID22494043

More details:

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

6-(4-Fluorophenyl)-11-methyl-9-oxo-7,9-dihydro-6H-pyrido[2,1-d][1,5]benzothiazepine-8-carboxylic acid [ACD/IUPAC Name]
6-(4-Fluorphenyl)-11-methyl-9-oxo-7,9-dihydro-6H-pyrido[2,1-d][1,5]benzothiazepin-8-carbonsäure [German] [ACD/IUPAC Name]
6H-Pyrido[2,1-d][1,5]benzothiazepine-8-carboxylic acid, 6-(4-fluorophenyl)-7,9-dihydro-11-methyl-9-oxo- [ACD/Index Name]
Acide 6-(4-fluorophényl)-11-méthyl-9-oxo-7,9-dihydro-6H-pyrido[2,1-d][1,5]benzothiazépine-8-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 537.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 278.6±30.1 °C
Index of Refraction: 1.706
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 383.59
ACD/KOC (pH 5.5): 2223.58
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 15.71
ACD/KOC (pH 7.4): 91.08
Polar Surface Area: 83 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 68.0±5.0 dyne/cm
Molar Volume: 262.1±5.0 cm3

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