ChemSpider 2D Image | 1-{4-[(4-Methyl-1-piperazinyl)carbonyl]-1-piperazinyl}-3-{3-[(methylsulfanyl)methyl]-1,2,4-oxadiazolidin-5-yl}-1-propanone | C17H32N6O3S

1-{4-[(4-Methyl-1-piperazinyl)carbonyl]-1-piperazinyl}-3-{3-[(methylsulfanyl)methyl]-1,2,4-oxadiazolidin-5-yl}-1-propanone

  • Molecular FormulaC17H32N6O3S
  • Average mass400.539 Da
  • Monoisotopic mass400.225647 Da
  • ChemSpider ID111186069

More details:

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

1-{4-[(4-Methyl-1-piperazinyl)carbonyl]-1-piperazinyl}-3-{3-[(methylsulfanyl)methyl]-1,2,4-oxadiazolidin-5-yl}-1-propanon [German] [ACD/IUPAC Name]
1-{4-[(4-Methyl-1-piperazinyl)carbonyl]-1-piperazinyl}-3-{3-[(methylsulfanyl)methyl]-1,2,4-oxadiazolidin-5-yl}-1-propanone [ACD/IUPAC Name]
1-{4-[(4-Méthyl-1-pipérazinyl)carbonyl]-1-pipérazinyl}-3-{3-[(méthylsulfanyl)méthyl]-1,2,4-oxadiazolidin-5-yl}-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[(4-methyl-1-piperazinyl)carbonyl]-1-piperazinyl]-3-[3-[(methylthio)methyl]-1,2,4-oxadiazolidin-5-yl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 576.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 302.7±32.9 °C
Index of Refraction: 1.547
Molar Refractivity: 105.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -2.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.48
Polar Surface Area: 106 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 331.6±3.0 cm3

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