ChemSpider 2D Image | 4-Nitrophenyl 4-[(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-1-piperazinecarboxylate | C18H16N4O8S

4-Nitrophenyl 4-[(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-1-piperazinecarboxylate

  • Molecular FormulaC18H16N4O8S
  • Average mass448.407 Da
  • Monoisotopic mass448.068878 Da
  • ChemSpider ID66477666

More details:

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

1-Piperazinecarboxylic acid, 4-[(2,3-dihydro-2-oxo-6-benzoxazolyl)sulfonyl]-, 4-nitrophenyl ester [ACD/Index Name]
4-[(2-Oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-1-pipérazinecarboxylate de 4-nitrophényle [French] [ACD/IUPAC Name]
4-Nitrophenyl 4-[(2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
4-Nitrophenyl-4-[(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: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.664
Molar Refractivity: 105.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.22
ACD/KOC (pH 5.5): 507.11
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.72
ACD/KOC (pH 7.4): 477.08
Polar Surface Area: 159 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 71.4±3.0 dyne/cm
Molar Volume: 283.5±3.0 cm3

Click to predict properties on the Chemicalize site


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