ChemSpider 2D Image | [4-(Methylsulfonyl)-1-piperazinyl][4-(5-nitro-2-pyridinyl)-1-piperazinyl]methanone | C15H22N6O5S

[4-(Methylsulfonyl)-1-piperazinyl][4-(5-nitro-2-pyridinyl)-1-piperazinyl]methanone

  • Molecular FormulaC15H22N6O5S
  • Average mass398.437 Da
  • Monoisotopic mass398.137238 Da
  • ChemSpider ID66470463

More details:

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

[4-(Methylsulfonyl)-1-piperazinyl][4-(5-nitro-2-pyridinyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
[4-(Methylsulfonyl)-1-piperazinyl][4-(5-nitro-2-pyridinyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
[4-(Méthylsulfonyl)-1-pipérazinyl][4-(5-nitro-2-pyridinyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(methylsulfonyl)-1-piperazinyl][4-(5-nitro-2-pyridinyl)-1-piperazinyl]- [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: 625.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 331.8±34.3 °C
Index of Refraction: 1.662
Molar Refractivity: 97.3±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 0.54
ACD/BCF (pH 5.5): 1.48
ACD/KOC (pH 5.5): 45.09
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.60
ACD/KOC (pH 7.4): 48.63
Polar Surface Area: 131 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 81.0±5.0 dyne/cm
Molar Volume: 262.7±5.0 cm3

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