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

2-Methyl-2-propanyl 4-{N-[3-(3,4-difluorophenyl)-3-phenylpropanoyl]alanyl}-1-piperazinecarboxylate

  • Molecular FormulaC27H33F2N3O4
  • Average mass501.565 Da
  • Monoisotopic mass501.243927 Da
  • ChemSpider ID121734481

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]-1-oxopropyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{N-[3-(3,4-difluorophenyl)-3-phenylpropanoyl]alanyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{N-[3-(3,4-difluorphenyl)-3-phenylpropanoyl]alanyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{N-[3-(3,4-Difluorophényl)-3-phénylpropanoyl]alanyl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [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: 669.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.3±3.0 kJ/mol
Flash Point: 358.4±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: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 651.50
ACD/KOC (pH 5.5): 3595.86
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 651.50
ACD/KOC (pH 7.4): 3595.87
Polar Surface Area: 79 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 412.3±3.0 cm3

Click to predict properties on the Chemicalize site


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