ChemSpider 2D Image | 1-Ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide | C20H21N3O2S

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

  • Molecular FormulaC20H21N3O2S
  • Average mass367.465 Da
  • Monoisotopic mass367.135437 Da
  • ChemSpider ID29415379

More details:

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

1-Ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazin-4,4-dioxid [German] [ACD/IUPAC Name]
1-Ethyl-8-(4-ethylphenyl)-5-methyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide [ACD/IUPAC Name]
4,4-Dioxyde de 1-éthyl-8-(4-éthylphényl)-5-méthyl-1,5-dihydropyrazolo[4,3-c][2,1]benzothiazine [French] [ACD/IUPAC Name]
Pyrazolo[4,3-c][2,1]benzothiazine, 1-ethyl-8-(4-ethylphenyl)-1,5-dihydro-5-methyl-, 4,4-dioxide [ACD/Index Name]
1426683-30-8 [RN]
1-ethyl-8-(4-ethylphenyl)-5-methylpyrazolo[4,3-c][2,1]benzothiazine 4,4-dioxide
FAK inhibitor 5

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

Density: 1.3±0.1 g/cm3
Boiling Point: 601.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 317.8±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 104.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 3.41
ACD/BCF (pH 5.5): 228.80
ACD/KOC (pH 5.5): 1700.20
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 228.80
ACD/KOC (pH 7.4): 1700.20
Polar Surface Area: 64 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 284.4±7.0 cm3

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