ChemSpider 2D Image | 5-Chloro-N-{4-fluoro-3-[(4aS,7aS)-3-imino-2,2-dimethyl-1,1-dioxidotetrahydro-2H-furo[3,4-b][1,4]thiazin-4a(5H)-yl]phenyl}-2-pyridinecarboxamide | C20H20ClFN4O4S

5-Chloro-N-{4-fluoro-3-[(4aS,7aS)-3-imino-2,2-dimethyl-1,1-dioxidotetrahydro-2H-furo[3,4-b][1,4]thiazin-4a(5H)-yl]phenyl}-2-pyridinecarboxamide

  • Molecular FormulaC20H20ClFN4O4S
  • Average mass466.914 Da
  • Monoisotopic mass466.087769 Da
  • ChemSpider ID76801538

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Pyridinecarboxamide, 5-chloro-N-[4-fluoro-3-[(4aS,7aS)-tetrahydro-3-imino-2,2-dimethyl-1,1-dioxido-2H-furo[3,4-b]-1,4-thiazin-4a(5H)-yl]phenyl]- [ACD/Index Name]
5-Chlor-N-{4-fluor-3-[(4aS,7aS)-3-imino-2,2-dimethyl-1,1-dioxidotetrahydro-2H-furo[3,4-b][1,4]thiazin-4a(5H)-yl]phenyl}-2-pyridincarboxamid [German] [ACD/IUPAC Name]
5-Chloro-N-{4-fluoro-3-[(4aS,7aS)-3-imino-2,2-dimethyl-1,1-dioxidotetrahydro-2H-furo[3,4-b][1,4]thiazin-4a(5H)-yl]phenyl}-2-pyridinecarboxamide [ACD/IUPAC Name]
5-Chloro-N-{4-fluoro-3-[(4aS,7aS)-3-imino-2,2-diméthyl-1,1-dioxydotétrahydro-2H-furo[3,4-b][1,4]thiazin-4a(5H)-yl]phényl}-2-pyridinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.686
Molar Refractivity: 112.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.82
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.82
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 2.27
ACD/KOC (pH 7.4): 61.41
Polar Surface Area: 130 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 296.4±7.0 cm3

Click to predict properties on the Chemicalize site


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