ChemSpider 2D Image | 3-(2-Chloro-6-fluorophenyl)-N-[(6E)-2-(dihydroxymethylene)-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-ylidene]-5-(hydroxymethyl)-1,2-oxazole-4-carboxamide | C19H17ClFN3O6S

3-(2-Chloro-6-fluorophenyl)-N-[(6E)-2-(dihydroxymethylene)-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-ylidene]-5-(hydroxymethyl)-1,2-oxazole-4-carboxamide

  • Molecular FormulaC19H17ClFN3O6S
  • Average mass469.871 Da
  • Monoisotopic mass469.051056 Da
  • ChemSpider ID95699239

More details:

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

3-(2-Chlor-6-fluorphenyl)-N-[(6E)-2-(dihydroxymethylen)-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-yliden]-5-(hydroxymethyl)-1,2-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
3-(2-Chloro-6-fluorophenyl)-N-[(6E)-2-(dihydroxymethylene)-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-ylidene]-5-(hydroxymethyl)-1,2-oxazole-4-carboxamide [ACD/IUPAC Name]
3-(2-Chloro-6-fluorophényl)-N-[(6E)-2-(dihydroxyméthylène)-7-hydroxy-3,3-diméthyl-4-thia-1-azabicyclo[3.2.0]hept-6-ylidène]-5-(hydroxyméthyl)-1,2-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
4-Isoxazolecarboxamide, 3-(2-chloro-6-fluorophenyl)-N-[(6E)-2-(dihydroxymethylene)-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]hept-6-ylidene]-5-(hydroxymethyl)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 741.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 402.4±35.7 °C
Index of Refraction: 1.741
Molar Refractivity: 108.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 5.12
ACD/KOC (pH 5.5): 112.00
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.10
ACD/KOC (pH 7.4): 111.65
Polar Surface Area: 165 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 67.9±7.0 dyne/cm
Molar Volume: 267.6±7.0 cm3

Click to predict properties on the Chemicalize site


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