ChemSpider 2D Image | Methyl (1-{2-[(2-fluorobenzyl)amino]-2-oxoethyl}-3-oxo-2-piperazinyl)acetate | C16H20FN3O4

Methyl (1-{2-[(2-fluorobenzyl)amino]-2-oxoethyl}-3-oxo-2-piperazinyl)acetate

  • Molecular FormulaC16H20FN3O4
  • Average mass337.346 Da
  • Monoisotopic mass337.143799 Da
  • ChemSpider ID22043155

More details:

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

(1-{2-[(2-Fluorobenzyl)amino]-2-oxoéthyl}-3-oxo-2-pipérazinyl)acétate de méthyle [French] [ACD/IUPAC Name]
2-Piperazineacetic acid, 1-[2-[[(2-fluorophenyl)methyl]amino]-2-oxoethyl]-3-oxo-, methyl ester [ACD/Index Name]
Methyl (1-{2-[(2-fluorobenzyl)amino]-2-oxoethyl}-3-oxo-2-piperazinyl)acetate [ACD/IUPAC Name]
Methyl-(1-{2-[(2-fluorbenzyl)amino]-2-oxoethyl}-3-oxo-2-piperazinyl)acetat [German] [ACD/IUPAC Name]
METHYL 2-[1-({[(2-FLUOROPHENYL)METHYL]CARBAMOYL}METHYL)-3-OXOPIPERAZIN-2-YL]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: 588.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 310.0±30.1 °C
Index of Refraction: 1.523
Molar Refractivity: 83.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.13
ACD/LogD (pH 5.5): 0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.70
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.08
Polar Surface Area: 88 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 272.5±3.0 cm3

Click to predict properties on the Chemicalize site


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