ChemSpider 2D Image | Ethyl [1-({[1-(3-furylmethyl)-3-oxo-2-piperazinyl]acetyl}amino)cyclohexyl]acetate | C21H31N3O5

Ethyl [1-({[1-(3-furylmethyl)-3-oxo-2-piperazinyl]acetyl}amino)cyclohexyl]acetate

  • Molecular FormulaC21H31N3O5
  • Average mass405.488 Da
  • Monoisotopic mass405.226379 Da
  • ChemSpider ID22232762

More details:

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

[1-({2-[1-(3-Furylméthyl)-3-oxo-2-pipérazinyl]acétyl}amino)cyclohexyl]acétate d'éthyle [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 1-[[2-[1-(3-furanylmethyl)-3-oxo-2-piperazinyl]acetyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl [1-({[1-(3-furylmethyl)-3-oxo-2-piperazinyl]acetyl}amino)cyclohexyl]acetate [ACD/IUPAC Name]
Ethyl-[1-({[1-(3-furylmethyl)-3-oxo-2-piperazinyl]acetyl}amino)cyclohexyl]acetat [German] [ACD/IUPAC Name]
ETHYL 2-(1-{2-[1-(FURAN-3-YLMETHYL)-3-OXOPIPERAZIN-2-YL]ACETAMIDO}CYCLOHEXYL)ACETATE
ETHYL 2-[1-(2-{1-[(FURAN-3-YL)METHYL]-3-OXOPIPERAZIN-2-YL}ACETAMIDO)CYCLOHEXYL]ACETATE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 617.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.2±30.1 °C
Index of Refraction: 1.559
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.97
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 50.94
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 5.97
ACD/KOC (pH 7.4): 124.33
Polar Surface Area: 101 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 52.6±5.0 dyne/cm
Molar Volume: 332.0±5.0 cm3

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