ChemSpider 2D Image | Ethyl 1-{4-[(Z)-{[(3-chloro-4-fluoro-1-benzothiophen-2-yl)carbonyl]hydrazono}methyl]-2-nitrophenyl}-4-piperidinecarboxylate | C24H22ClFN4O5S

Ethyl 1-{4-[(Z)-{[(3-chloro-4-fluoro-1-benzothiophen-2-yl)carbonyl]hydrazono}methyl]-2-nitrophenyl}-4-piperidinecarboxylate

  • Molecular FormulaC24H22ClFN4O5S
  • Average mass532.972 Da
  • Monoisotopic mass532.098328 Da
  • ChemSpider ID100684068

  • Double-bond stereo - Double-bond stereo

More details:

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

1-{4-[(Z)-{[(3-Chloro-4-fluoro-1-benzothiophén-2-yl)carbonyl]hydrazono}méthyl]-2-nitrophényl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[4-[(Z)-[2-[(3-chloro-4-fluorobenzo[b]thien-2-yl)carbonyl]hydrazinylidene]methyl]-2-nitrophenyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{4-[(Z)-{[(3-chloro-4-fluoro-1-benzothiophen-2-yl)carbonyl]hydrazono}methyl]-2-nitrophenyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{4-[(Z)-{[(3-chlor-4-fluor-1-benzothiophen-2-yl)carbonyl]hydrazono}methyl]-2-nitrophenyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.674
Molar Refractivity: 133.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.41
ACD/LogD (pH 5.5): 5.32
ACD/BCF (pH 5.5): 6553.48
ACD/KOC (pH 5.5): 18768.00
ACD/LogD (pH 7.4): 5.32
ACD/BCF (pH 7.4): 6542.16
ACD/KOC (pH 7.4): 18735.59
Polar Surface Area: 145 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 57.5±7.0 dyne/cm
Molar Volume: 356.8±7.0 cm3

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