ChemSpider 2D Image | 3-[(3-Benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)methyl]benzonitrile | C23H16N2O4S

3-[(3-Benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)methyl]benzonitrile

  • Molecular FormulaC23H16N2O4S
  • Average mass416.449 Da
  • Monoisotopic mass416.083069 Da
  • ChemSpider ID30657377

More details:

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

3-[(3-Benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)methyl]benzonitril [German] [ACD/IUPAC Name]
3-[(3-Benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)methyl]benzonitrile [ACD/IUPAC Name]
3-[(3-Benzoyl-4-hydroxy-1,1-dioxydo-2H-1,2-benzothiazin-2-yl)méthyl]benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-[(3-benzoyl-4-hydroxy-1,1-dioxido-2H-1,2-benzothiazin-2-yl)methyl]- [ACD/Index 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: 637.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 339.1±34.3 °C
Index of Refraction: 1.730
Molar Refractivity: 111.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 29.75
ACD/KOC (pH 5.5): 199.85
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.45
Polar Surface Area: 107 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 81.6±5.0 dyne/cm
Molar Volume: 278.3±5.0 cm3

Click to predict properties on the Chemicalize site


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