ChemSpider 2D Image | (2Z)-4-(3,4-Dichlorophenyl)-2-{2-[4-methyl(~2~H_8_)-1-piperazinyl]benzylidene}-3-thiomorpholinone | C22H15D8Cl2N3OS

(2Z)-4-(3,4-Dichlorophenyl)-2-{2-[4-methyl(2H8)-1-piperazinyl]benzylidene}-3-thiomorpholinone

  • Molecular FormulaC22H15D8Cl2N3OS
  • Average mass456.458 Da
  • Monoisotopic mass455.144104 Da
  • ChemSpider ID58780110

  • Double-bond stereo - Double-bond stereo

    Non-standard isotope - Non-standard isotope

More details:

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

(2Z)-4-(3,4-Dichlorophenyl)-2-{2-[4-methyl(2H8)-1-piperazinyl]benzylidene}-3-thiomorpholinone [ACD/IUPAC Name]
(2Z)-4-(3,4-Dichlorophényl)-2-{2-[4-méthyl(2H8)-1-pipérazinyl]benzylidène}-3-thiomorpholinone [French] [ACD/IUPAC Name]
(2Z)-4-(3,4-Dichlorphenyl)-2-{2-[4-methyl(2H8)-1-piperazinyl]benzyliden}-3-thiomorpholinon [German] [ACD/IUPAC Name]
3-Thiomorpholinone, 4-(3,4-dichlorophenyl)-2-[[2-(4-methyl-1-piperazinyl-2,2,3,3,5,5,6,6-d8)phenyl]methylene]-, (2Z)- [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: 619.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.8±3.0 kJ/mol
Flash Point: 328.5±31.5 °C
Index of Refraction: 1.666
Molar Refractivity: 123.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 18.10
ACD/KOC (pH 5.5): 80.81
ACD/LogD (pH 7.4): 4.13
ACD/BCF (pH 7.4): 685.78
ACD/KOC (pH 7.4): 3061.94
Polar Surface Area: 52 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 332.7±3.0 cm3

Click to predict properties on the Chemicalize site


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