ChemSpider 2D Image | Ethyl 4-{N-benzyl-N-[(3-chloro-4-methoxyphenyl)sulfonyl]glycyl}-1-piperazinecarboxylate | C23H28ClN3O6S

Ethyl 4-{N-benzyl-N-[(3-chloro-4-methoxyphenyl)sulfonyl]glycyl}-1-piperazinecarboxylate

  • Molecular FormulaC23H28ClN3O6S
  • Average mass510.003 Da
  • Monoisotopic mass509.138733 Da
  • ChemSpider ID2247092

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[(3-chloro-4-methoxyphenyl)sulfonyl](phenylmethyl)amino]acetyl]-, ethyl ester [ACD/Index Name]
4-{N-Benzyl-N-[(3-chloro-4-méthoxyphényl)sulfonyl]glycyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{N-benzyl-N-[(3-chloro-4-methoxyphenyl)sulfonyl]glycyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{N-benzyl-N-[(3-chlor-4-methoxyphenyl)sulfonyl]glycyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{2-[Benzyl-(3-chloro-4-methoxy-benzenesulfonyl)-amino]-acetyl}-piperazine-1-carboxylic acid ethyl ester
ETHYL 4-[2-(N-BENZYL3-CHLORO-4-METHOXYBENZENESULFONAMIDO)ACETYL]PIPERAZINE-1-CARBOXYLATE
ethyl 4-{N-benzyl-N-[(3-chloro-4-methoxyphenyl)sulfonyl]glycyl}piperazine-1-carboxylate

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

MLS000531534 [DBID]
SMR000136512 [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: 685.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.3±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.79
ACD/LogD (pH 5.5): 3.97
ACD/BCF (pH 5.5): 616.71
ACD/KOC (pH 5.5): 3457.33
ACD/LogD (pH 7.4): 3.97
ACD/BCF (pH 7.4): 616.71
ACD/KOC (pH 7.4): 3457.35
Polar Surface Area: 105 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 54.5±3.0 dyne/cm
Molar Volume: 380.5±3.0 cm3

Click to predict properties on the Chemicalize site


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