ChemSpider 2D Image | 8-(Hydroxyamino)-2-(2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one | C17H18F3N3O4S

8-(Hydroxyamino)-2-(2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one

  • Molecular FormulaC17H18F3N3O4S
  • Average mass417.403 Da
  • Monoisotopic mass417.097015 Da
  • ChemSpider ID24823975

More details:

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

4H-1,3-Benzothiazin-4-one, 8-(hydroxyamino)-2-(2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-(trifluoromethyl)- [ACD/Index Name]
8-(Hydroxyamino)-2-(2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-(trifluormethyl)-4H-1,3-benzothiazin-4-on [German] [ACD/IUPAC Name]
8-(Hydroxyamino)-2-(2-methyl-1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one [ACD/IUPAC Name]
8-(Hydroxyamino)-2-(2-méthyl-1,4-dioxa-8-azaspiro[4.5]déc-8-yl)-6-(trifluorométhyl)-4H-1,3-benzothiazin-4-one [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: 556.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 290.3±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 93.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.52
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.77
ACD/KOC (pH 5.5): 190.06
ACD/LogD (pH 7.4): 1.36
ACD/BCF (pH 7.4): 5.36
ACD/KOC (pH 7.4): 94.54
Polar Surface Area: 109 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 54.5±7.0 dyne/cm
Molar Volume: 252.9±7.0 cm3

Click to predict properties on the Chemicalize site


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