ChemSpider 2D Image | N-(3-Chloro-4-{4-[(2E)-3-phenyl-2-propenoyl]-1-piperazinyl}phenyl)-2-[(4-chlorophenyl)sulfanyl]acetamide | C27H25Cl2N3O2S

N-(3-Chloro-4-{4-[(2E)-3-phenyl-2-propenoyl]-1-piperazinyl}phenyl)-2-[(4-chlorophenyl)sulfanyl]acetamide

  • Molecular FormulaC27H25Cl2N3O2S
  • Average mass526.477 Da
  • Monoisotopic mass525.104431 Da
  • ChemSpider ID12715589

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetamide, N-[3-chloro-4-[4-[(2E)-1-oxo-3-phenyl-2-propen-1-yl]-1-piperazinyl]phenyl]-2-[(4-chlorophenyl)thio]- [ACD/Index Name]
N-(3-Chlor-4-{4-[(2E)-3-phenyl-2-propenoyl]-1-piperazinyl}phenyl)-2-[(4-chlorphenyl)sulfanyl]acetamid [German] [ACD/IUPAC Name]
N-(3-Chloro-4-{4-[(2E)-3-phenyl-2-propenoyl]-1-piperazinyl}phenyl)-2-[(4-chlorophenyl)sulfanyl]acetamide [ACD/IUPAC Name]
N-(3-Chloro-4-{4-[(2E)-3-phényl-2-propenoyl]-1-pipérazinyl}phényl)-2-[(4-chlorophényl)sulfanyl]acétamide [French] [ACD/IUPAC Name]
N-(3-chloro-4-{4-[(2E)-3-phenylprop-2-enoyl]piperazin-1-yl}phenyl)-2-[(4-chlorophenyl)sulfanyl]acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 771.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.3±32.9 °C
Index of Refraction: 1.690
Molar Refractivity: 145.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 5.48
ACD/BCF (pH 5.5): 8572.50
ACD/KOC (pH 5.5): 22690.95
ACD/LogD (pH 7.4): 5.48
ACD/BCF (pH 7.4): 8645.16
ACD/KOC (pH 7.4): 22883.27
Polar Surface Area: 78 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 67.0±5.0 dyne/cm
Molar Volume: 379.6±5.0 cm3

Click to predict properties on the Chemicalize site


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