ChemSpider 2D Image | Ethyl 4-({2-chloro-4-[(1-phenylethyl)sulfamoyl]phenoxy}acetyl)-1-piperazinecarboxylate | C23H28ClN3O6S

Ethyl 4-({2-chloro-4-[(1-phenylethyl)sulfamoyl]phenoxy}acetyl)-1-piperazinecarboxylate

  • Molecular FormulaC23H28ClN3O6S
  • Average mass510.003 Da
  • Monoisotopic mass509.138733 Da
  • ChemSpider ID2252970

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[2-chloro-4-[[(1-phenylethyl)amino]sulfonyl]phenoxy]acetyl]-, ethyl ester [ACD/Index Name]
4-(2-{2-Chloro-4-[(1-phényléthyl)sulfamoyl]phénoxy}acétyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({2-chloro-4-[(1-phenylethyl)sulfamoyl]phenoxy}acetyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-({2-chlor-4-[(1-phenylethyl)sulfamoyl]phenoxy}acetyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
ETHYL 4-(2-{2-CHLORO-4-[(1-PHENYLETHYL)SULFAMOYL]PHENOXY}ACETYL)PIPERAZINE-1-CARBOXYLATE
ethyl 4-[(2-chloro-4-{[(1-phenylethyl)amino]sulfonyl}phenoxy)acetyl]-1-piperazinecarboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.2±34.3 °C
Index of Refraction: 1.589
Molar Refractivity: 129.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 237.89
ACD/KOC (pH 5.5): 1748.29
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 237.82
ACD/KOC (pH 7.4): 1747.81
Polar Surface Area: 114 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 382.8±3.0 cm3

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