ChemSpider 2D Image | 3-(Benzyloxy)phenyl 4-ethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxylate 1,1-dioxide | C23H22N2O5S

3-(Benzyloxy)phenyl 4-ethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxylate 1,1-dioxide

  • Molecular FormulaC23H22N2O5S
  • Average mass438.496 Da
  • Monoisotopic mass438.124939 Da
  • ChemSpider ID26948344

More details:

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

1,1-Dioxyde de 4-éthyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxylate de 3-(benzyloxy)phényle [French] [ACD/IUPAC Name]
2H-1,2,4-Benzothiadiazine-7-carboxylic acid, 4-ethyl-3,4-dihydro-, 3-(phenylmethoxy)phenyl ester, 1,1-dioxide [ACD/Index Name]
3-(Benzyloxy)phenyl 4-ethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxylate 1,1-dioxide [ACD/IUPAC Name]
3-(Benzyloxy)phenyl-4-ethyl-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-carboxylat-1,1-dioxid [German] [ACD/IUPAC Name]
3-Benzyloxyphenyl 4-ethyl-3,4-dihydro-2H-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: 656.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.0±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 921.03
ACD/KOC (pH 5.5): 4606.60
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 894.39
ACD/KOC (pH 7.4): 4473.34
Polar Surface Area: 93 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 335.6±3.0 cm3

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