ChemSpider 2D Image | 2-(Benzyloxy)phenyl 4-methyl-4H-1,2,4-benzothiadiazine-7-carboxylate 1,1-dioxide | C22H18N2O5S

2-(Benzyloxy)phenyl 4-methyl-4H-1,2,4-benzothiadiazine-7-carboxylate 1,1-dioxide

  • Molecular FormulaC22H18N2O5S
  • Average mass422.454 Da
  • Monoisotopic mass422.093628 Da
  • ChemSpider ID26948323

More details:

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

1,1-Dioxyde de 4-méthyl-4H-1,2,4-benzothiadiazine-7-carboxylate de 2-(benzyloxy)phényle [French] [ACD/IUPAC Name]
2-(Benzyloxy)phenyl 4-methyl-4H-1,2,4-benzothiadiazine-7-carboxylate 1,1-dioxide [ACD/IUPAC Name]
2-(Benzyloxy)phenyl-4-methyl-4H-1,2,4-benzothiadiazin-7-carboxylat-1,1-dioxid [German] [ACD/IUPAC Name]
4H-1,2,4-Benzothiadiazine-7-carboxylic acid, 4-methyl-, 2-(phenylmethoxy)phenyl ester, 1,1-dioxide [ACD/Index Name]
2-Benzyloxyphenyl 4-methyl-4H-1,2,4-benzothiadiazine-7-carboxylate 1,1-dioxide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 669.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.8±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 113.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 246.48
ACD/KOC (pH 5.5): 1793.27
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 246.48
ACD/KOC (pH 7.4): 1793.27
Polar Surface Area: 94 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 317.7±7.0 cm3

Click to predict properties on the Chemicalize site


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