ChemSpider 2D Image | 8-(4-Ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide | C18H17N3O2S

8-(4-Ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide

  • Molecular FormulaC18H17N3O2S
  • Average mass339.411 Da
  • Monoisotopic mass339.104156 Da
  • ChemSpider ID29419508

More details:

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

4,4-Dioxyde de 8-(4-éthylphényl)-5-méthyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine [French] [ACD/IUPAC Name]
8-(4-Ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-4,4-dioxid [German] [ACD/IUPAC Name]
8-(4-Ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide [ACD/IUPAC Name]
8-(4-Ethylphenyl)-5-Methyl-2,5-Dihydropyrazolo[4,3-C][2,1]benzothiazine 4,4-Dioxide
Pyrazolo[4,3-c][2,1]benzothiazine, 8-(4-ethylphenyl)-1,5-dihydro-5-methyl-, 4,4-dioxide [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 634.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.8±3.0 kJ/mol
Flash Point: 337.8±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.99
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 111.36
ACD/KOC (pH 5.5): 1015.29
ACD/LogD (pH 7.4): 2.98
ACD/BCF (pH 7.4): 107.26
ACD/KOC (pH 7.4): 977.93
Polar Surface Area: 74 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 57.5±3.0 dyne/cm
Molar Volume: 253.3±3.0 cm3

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