ChemSpider 2D Image | 4-({[2-(3-Fluorophenyl)-3-oxo-1-piperazinyl]carbonyl}amino)tetrahydro-2H-pyran-4-carboxylic acid | C17H20FN3O5

4-({[2-(3-Fluorophenyl)-3-oxo-1-piperazinyl]carbonyl}amino)tetrahydro-2H-pyran-4-carboxylic acid

  • Molecular FormulaC17H20FN3O5
  • Average mass365.356 Da
  • Monoisotopic mass365.138702 Da
  • ChemSpider ID57624240

More details:

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

2H-Pyran-4-carboxylic acid, 4-[[[2-(3-fluorophenyl)-3-oxo-1-piperazinyl]carbonyl]amino]tetrahydro- [ACD/Index Name]
4-({[2-(3-Fluorophenyl)-3-oxo-1-piperazinyl]carbonyl}amino)tetrahydro-2H-pyran-4-carboxylic acid [ACD/IUPAC Name]
4-({[2-(3-Fluorphenyl)-3-oxo-1-piperazinyl]carbonyl}amino)tetrahydro-2H-pyran-4-carbonsäure [German] [ACD/IUPAC Name]
Acide 4-({[2-(3-fluorophényl)-3-oxo-1-pipérazinyl]carbonyl}amino)tétrahydro-2H-pyrane-4-carboxylique [French] [ACD/IUPAC Name]
4-({[2-(3-fluorophenyl)-3-oxopiperazin-1-yl]carbonyl}amino)tetrahydro-2H-pyran-4-carboxylic acid
4-[2-(3-FLUOROPHENYL)-3-OXOPIPERAZINE-1-CARBONYLAMINO]OXANE-4-CARBOXYLIC ACID
4-{[2-(3-FLUOROPHENYL)-3-OXOPIPERAZINE-1-CARBONYL]AMINO}OXANE-4-CARBOXYLIC ACID

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

Density: 1.4±0.1 g/cm3
Boiling Point: 690.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 371.2±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 88.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.56
ACD/LogD (pH 5.5): -2.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 108 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 65.1±5.0 dyne/cm
Molar Volume: 254.4±5.0 cm3

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