Found 747 results

Search term: MF = 'C_{21}H_{32}N_{4}O_{5}S'
ChemSpider 2D Image | Ethyl 4-({4-[(2,4-dimethylphenyl)sulfonyl]-1-piperazinyl}acetyl)-1-piperazinecarboxylate | C21H32N4O5S

Ethyl 4-({4-[(2,4-dimethylphenyl)sulfonyl]-1-piperazinyl}acetyl)-1-piperazinecarboxylate

  • Molecular FormulaC21H32N4O5S
  • Average mass452.568 Da
  • Monoisotopic mass452.209351 Da
  • ChemSpider ID22459847

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[4-[(2,4-dimethylphenyl)sulfonyl]-1-piperazinyl]acetyl]-, ethyl ester [ACD/Index Name]
4-(2-{4-[(2,4-Diméthylphényl)sulfonyl]-1-pipérazinyl}acétyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({4-[(2,4-dimethylphenyl)sulfonyl]-1-piperazinyl}acetyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-({4-[(2,4-dimethylphenyl)sulfonyl]-1-piperazinyl}acetyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 622.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.5±34.3 °C
Index of Refraction: 1.575
Molar Refractivity: 118.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 32.16
ACD/KOC (pH 5.5): 400.37
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.17
ACD/KOC (pH 7.4): 462.75
Polar Surface Area: 99 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 358.4±3.0 cm3

Click to predict properties on the Chemicalize site


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