ChemSpider 2D Image | Ethyl 4-{N-[3-(3,4-difluorophenyl)-3-phenylpropanoyl]valyl}-1-piperazinecarboxylate | C27H33F2N3O4

Ethyl 4-{N-[3-(3,4-difluorophenyl)-3-phenylpropanoyl]valyl}-1-piperazinecarboxylate

  • Molecular FormulaC27H33F2N3O4
  • Average mass501.565 Da
  • Monoisotopic mass501.243927 Da
  • ChemSpider ID121733345

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[3-(3,4-difluorophenyl)-1-oxo-3-phenylpropyl]amino]-3-methyl-1-oxobutyl]-, ethyl ester [ACD/Index Name]
4-{N-[3-(3,4-Difluorophényl)-3-phénylpropanoyl]valyl}-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{N-[3-(3,4-difluorophenyl)-3-phenylpropanoyl]valyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-{N-[3-(3,4-difluorphenyl)-3-phenylpropanoyl]valyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 675.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 362.0±31.5 °C
Index of Refraction: 1.546
Molar Refractivity: 130.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 601.75
ACD/KOC (pH 5.5): 3397.10
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 601.76
ACD/KOC (pH 7.4): 3397.12
Polar Surface Area: 79 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 46.0±3.0 dyne/cm
Molar Volume: 412.6±3.0 cm3

Click to predict properties on the Chemicalize site


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