ChemSpider 2D Image | 1,2-Dimethyl-N-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]-4-(methylsulfonyl)-6-oxo-2-piperazinecarboxamide | C19H28N4O5S2

1,2-Dimethyl-N-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]-4-(methylsulfonyl)-6-oxo-2-piperazinecarboxamide

  • Molecular FormulaC19H28N4O5S2
  • Average mass456.579 Da
  • Monoisotopic mass456.150116 Da
  • ChemSpider ID21903084

More details:

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

1,2-Dimethyl-N-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]-4-(methylsulfonyl)-6-oxo-2-piperazincarboxamid [German] [ACD/IUPAC Name]
1,2-Dimethyl-N-[2-({2-[4-(methylsulfanyl)phenyl]ethyl}amino)-2-oxoethyl]-4-(methylsulfonyl)-6-oxo-2-piperazinecarboxamide [ACD/IUPAC Name]
1,2-Diméthyl-N-[2-({2-[4-(méthylsulfanyl)phényl]éthyl}amino)-2-oxoéthyl]-4-(méthylsulfonyl)-6-oxo-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
2-Piperazinecarboxamide, 1,2-dimethyl-4-(methylsulfonyl)-N-[2-[[2-[4-(methylthio)phenyl]ethyl]amino]-2-oxoethyl]-6-oxo- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.615
Molar Refractivity: 117.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.12
ACD/LogD (pH 5.5): 0.64
ACD/BCF (pH 5.5): 1.81
ACD/KOC (pH 5.5): 53.25
ACD/LogD (pH 7.4): 0.64
ACD/BCF (pH 7.4): 1.81
ACD/KOC (pH 7.4): 53.25
Polar Surface Area: 150 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 63.1±5.0 dyne/cm
Molar Volume: 335.8±5.0 cm3

Click to predict properties on the Chemicalize site


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