ChemSpider 2D Image | Ethyl 4-{[3-(2-ethoxy-2-oxoethyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}-1-piperazinecarboxylate | C18H23N3O8S

Ethyl 4-{[3-(2-ethoxy-2-oxoethyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}-1-piperazinecarboxylate

  • Molecular FormulaC18H23N3O8S
  • Average mass441.456 Da
  • Monoisotopic mass441.120575 Da
  • ChemSpider ID27443620

More details:

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

3(2H)-Benzoxazoleacetic acid, 6-[[4-(ethoxycarbonyl)-1-piperazinyl]sulfonyl]-2-oxo-, ethyl ester [ACD/Index Name]
4-{[3-(2-Éthoxy-2-oxoéthyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[3-(2-ethoxy-2-oxoethyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{[3-(2-ethoxy-2-oxoethyl)-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 605.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 319.8±34.3 °C
Index of Refraction: 1.584
Molar Refractivity: 104.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.07
ACD/KOC (pH 5.5): 206.93
ACD/LogD (pH 7.4): 1.73
ACD/BCF (pH 7.4): 12.07
ACD/KOC (pH 7.4): 206.93
Polar Surface Area: 131 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 311.7±3.0 cm3

Click to predict properties on the Chemicalize site


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