ChemSpider 2D Image | Ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-(4-ethoxyphenyl)glycyl}-1-piperazinecarboxylate | C23H28ClN3O6S

Ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-(4-ethoxyphenyl)glycyl}-1-piperazinecarboxylate

  • Molecular FormulaC23H28ClN3O6S
  • Average mass510.003 Da
  • Monoisotopic mass509.138733 Da
  • ChemSpider ID23086141

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[(4-chlorophenyl)sulfonyl](4-ethoxyphenyl)amino]acetyl]-, ethyl ester [ACD/Index Name]
4-{N-[(4-Chlorophényl)sulfonyl]-N-(4-éthoxyphényl)glycyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-(4-ethoxyphenyl)glycyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-(4-ethoxyphenyl)glycyl}piperazine-1-carboxylate
Ethyl-4-{N-[(4-chlorphenyl)sulfonyl]-N-(4-ethoxyphenyl)glycyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ETHYL 4-[2-(N-(4-CHLOROPHENYL)SULFONYL-4-ETHOXYANILINO)ACETYL]PIPERAZINE-1-CARBOXYLATE
ETHYL 4-{2-[N-(4-ETHOXYPHENYL)4-CHLOROBENZENESULFONAMIDO]ACETYL}PIPERAZINE-1-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 681.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.7±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 3.19
ACD/BCF (pH 5.5): 157.36
ACD/KOC (pH 5.5): 1300.61
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 157.36
ACD/KOC (pH 7.4): 1300.62
Polar Surface Area: 105 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 378.5±3.0 cm3

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