ChemSpider 2D Image | Ethyl 4-{N-(5-chloro-2-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}-1-piperazinecarboxylate | C23H28ClN3O6S

Ethyl 4-{N-(5-chloro-2-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}-1-piperazinecarboxylate

  • Molecular FormulaC23H28ClN3O6S
  • Average mass510.003 Da
  • Monoisotopic mass509.138733 Da
  • ChemSpider ID5047438

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[(5-chloro-2-methoxyphenyl)[(4-methylphenyl)sulfonyl]amino]acetyl]-, ethyl ester [ACD/Index Name]
4-{N-(5-Chloro-2-méthoxyphényl)-N-[(4-méthylphényl)sulfonyl]glycyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{N-(5-chloro-2-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
ethyl 4-{N-(5-chloro-2-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}piperazine-1-carboxylate
Ethyl-4-{N-(5-chlor-2-methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]glycyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{2-[(5-Chloro-2-methoxy-phenyl)-(toluene-4-sulfonyl)-amino]-acetyl}-piperazine-1-carboxylic acid ethyl ester
ETHYL 4-{2-[N-(5-CHLORO-2-METHOXYPHENYL)4-METHYLBENZENESULFONAMIDO]ACETYL}PIPERAZINE-1-CARBOXYLATE

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

ChemDiv1_007121 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 682.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.5±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 3.23
ACD/BCF (pH 5.5): 167.17
ACD/KOC (pH 5.5): 1358.12
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 167.17
ACD/KOC (pH 7.4): 1358.12
Polar Surface Area: 105 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 378.2±3.0 cm3

Click to predict properties on the Chemicalize site


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