ChemSpider 2D Image | 1-(Diphenylmethyl)-4-[(1E)-3,4,4-trichloro-2-nitro-1-(propylsulfanyl)-1,3-butadien-1-yl]piperazine | C24H26Cl3N3O2S

1-(Diphenylmethyl)-4-[(1E)-3,4,4-trichloro-2-nitro-1-(propylsulfanyl)-1,3-butadien-1-yl]piperazine

  • Molecular FormulaC24H26Cl3N3O2S
  • Average mass526.906 Da
  • Monoisotopic mass525.081116 Da
  • ChemSpider ID21185425

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(Diphenylmethyl)-4-[(1E)-3,4,4-trichlor-2-nitro-1-(propylsulfanyl)-1,3-butadien-1-yl]piperazin [German] [ACD/IUPAC Name]
1-(Diphenylmethyl)-4-[(1E)-3,4,4-trichloro-2-nitro-1-(propylsulfanyl)-1,3-butadien-1-yl]piperazine [ACD/IUPAC Name]
1-(Diphénylméthyl)-4-[(1E)-3,4,4-trichloro-2-nitro-1-(propylsulfanyl)-1,3-butadién-1-yl]pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-(diphenylmethyl)-4-[(1E)-3,4,4-trichloro-2-nitro-1-(propylthio)-1,3-butadien-1-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 479.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.5±28.7 °C
Index of Refraction: 1.625
Molar Refractivity: 139.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.57
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 3718.18
ACD/KOC (pH 5.5): 5674.44
ACD/LogD (pH 7.4): 6.50
ACD/BCF (pH 7.4): 49041.71
ACD/KOC (pH 7.4): 74844.24
Polar Surface Area: 78 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 394.7±3.0 cm3

Click to predict properties on the Chemicalize site


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