ChemSpider 2D Image | 2-(2-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-oxoethyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide | C18H20N4O7S2

2-(2-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-oxoethyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide

  • Molecular FormulaC18H20N4O7S2
  • Average mass468.504 Da
  • Monoisotopic mass468.077332 Da
  • ChemSpider ID22106958

More details:

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

1,1-Dioxyde de 2-(2-{4-[(3,5-diméthyl-1,2-oxazol-4-yl)sulfonyl]-1-pipérazinyl}-2-oxoéthyl)-1,2-benzothiazol-3(2H)-one [French] [ACD/IUPAC Name]
1,2-Benzisothiazol-3(2H)-one, 2-[2-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl]-2-oxoethyl]-, 1,1-dioxide [ACD/Index Name]
2-(2-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-oxoethyl)-1,2-benzothiazol-3(2H)-on-1,1-dioxid [German] [ACD/IUPAC Name]
2-(2-{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}-2-oxoethyl)-1,2-benzothiazol-3(2H)-one 1,1-dioxide [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 745.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.6±35.7 °C
Index of Refraction: 1.634
Molar Refractivity: 108.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 19.65
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 19.65
Polar Surface Area: 155 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 67.8±3.0 dyne/cm
Molar Volume: 304.3±3.0 cm3

Click to predict properties on the Chemicalize site


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