ChemSpider 2D Image | {4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}[3-(methylsulfonyl)-5-nitrophenyl]methanone | C17H20N4O8S2

{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}[3-(methylsulfonyl)-5-nitrophenyl]methanone

  • Molecular FormulaC17H20N4O8S2
  • Average mass472.493 Da
  • Monoisotopic mass472.072266 Da
  • ChemSpider ID34278191

More details:

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

{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}[3-(methylsulfonyl)-5-nitrophenyl]methanon [German] [ACD/IUPAC Name]
{4-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-1-piperazinyl}[3-(methylsulfonyl)-5-nitrophenyl]methanone [ACD/IUPAC Name]
{4-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-1-pipérazinyl}[3-(méthylsulfonyl)-5-nitrophényl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazinyl][3-(methylsulfonyl)-5-nitrophenyl]- [ACD/Index 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: 764.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 416.1±35.7 °C
Index of Refraction: 1.603
Molar Refractivity: 108.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 23.35
ACD/LogD (pH 7.4): -0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 23.35
Polar Surface Area: 180 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 315.0±3.0 cm3

Click to predict properties on the Chemicalize site


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