ChemSpider 2D Image | 2-[5-(2,3-Dichlorobenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methyl-1-piperazinyl)-3-oxopropanenitrile | C24H22Cl2N4O2S

2-[5-(2,3-Dichlorobenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methyl-1-piperazinyl)-3-oxopropanenitrile

  • Molecular FormulaC24H22Cl2N4O2S
  • Average mass501.428 Da
  • Monoisotopic mass500.084045 Da
  • ChemSpider ID2670964

More details:






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

1-Piperazinepropanenitrile, α-[5-[(2,3-dichlorophenyl)methyl]-4-oxo-3-phenyl-2-thiazolidinylidene]-4-methyl-β-oxo- [ACD/Index Name]
2-[5-(2,3-Dichlorbenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-yliden]-3-(4-methyl-1-piperazinyl)-3-oxopropannitril [German] [ACD/IUPAC Name]
2-[5-(2,3-Dichlorobenzyl)-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methyl-1-piperazinyl)-3-oxopropanenitrile [ACD/IUPAC Name]
2-[5-(2,3-Dichlorobenzyl)-4-oxo-3-phényl-1,3-thiazolidin-2-ylidène]-3-(4-méthyl-1-pipérazinyl)-3-oxopropanenitrile [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 655.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.1±31.5 °C
Index of Refraction: 1.656
Molar Refractivity: 130.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 23.96
ACD/KOC (pH 5.5): 160.90
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 281.61
ACD/KOC (pH 7.4): 1890.87
Polar Surface Area: 93 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 63.2±3.0 dyne/cm
Molar Volume: 355.7±3.0 cm3

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