ChemSpider 2D Image | Isopropyl 6-{2-oxo-2-[(2,3,5,6-tetrafluorophenyl)amino]ethyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate | C18H14F4N2O3S

Isopropyl 6-{2-oxo-2-[(2,3,5,6-tetrafluorophenyl)amino]ethyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate

  • Molecular FormulaC18H14F4N2O3S
  • Average mass414.374 Da
  • Monoisotopic mass414.066132 Da
  • ChemSpider ID28997701

More details:

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

6-{2-Oxo-2-[(2,3,5,6-tétrafluorophényl)amino]éthyl}-6H-thiéno[2,3-b]pyrrole-5-carboxylate d'isopropyle [French] [ACD/IUPAC Name]
6H-Thieno[2,3-b]pyrrole-5-carboxylic acid, 6-[2-oxo-2-[(2,3,5,6-tetrafluorophenyl)amino]ethyl]-, 1-methylethyl ester [ACD/Index Name]
Isopropyl 6-{2-oxo-2-[(2,3,5,6-tetrafluorophenyl)amino]ethyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate [ACD/IUPAC Name]
Isopropyl-6-{2-oxo-2-[(2,3,5,6-tetrafluorphenyl)amino]ethyl}-6H-thieno[2,3-b]pyrrol-5-carboxylat [German] [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: 521.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 268.9±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 94.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 4.90
ACD/BCF (pH 5.5): 3128.03
ACD/KOC (pH 5.5): 11050.54
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2896.40
ACD/KOC (pH 7.4): 10232.24
Polar Surface Area: 89 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 41.5±7.0 dyne/cm
Molar Volume: 277.6±7.0 cm3

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