ChemSpider 2D Image | 2-Phenylethyl 4-ethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxylate 1,1-dioxide | C18H20N2O4S

2-Phenylethyl 4-ethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxylate 1,1-dioxide

  • Molecular FormulaC18H20N2O4S
  • Average mass360.427 Da
  • Monoisotopic mass360.114380 Da
  • ChemSpider ID26948346

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 2-phényléthyle [French] [ACD/IUPAC Name]
2H-1,2,4-Benzothiadiazine-7-carboxylic acid, 4-ethyl-3,4-dihydro-, 2-phenylethyl ester, 1,1-dioxide [ACD/Index Name]
2-Phenylethyl 4-ethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-carboxylate 1,1-dioxide [ACD/IUPAC Name]
2-Phenylethyl-4-ethyl-3,4-dihydro-2H-1,2,4-benzothiadiazin-7-carboxylat-1,1-dioxid [German] [ACD/IUPAC Name]
Phenethyl 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: 559.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.2±3.0 kJ/mol
Flash Point: 292.1±32.9 °C
Index of Refraction: 1.590
Molar Refractivity: 95.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 95.40
ACD/KOC (pH 5.5): 908.94
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.25
ACD/KOC (pH 7.4): 888.42
Polar Surface Area: 84 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 282.6±3.0 cm3

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