Found 1 result

Search term: CQQKOUBRQFNBNP (Found by InChIKey (skeleton match))

ChemSpider 2D Image | [1-(2,4-Difluorobenzoyl)-4-piperidinyl][4-(2-pyrimidinyl)-1-piperazinyl]methanone | C21H23F2N5O2

[1-(2,4-Difluorobenzoyl)-4-piperidinyl][4-(2-pyrimidinyl)-1-piperazinyl]methanone

  • Molecular FormulaC21H23F2N5O2
  • Average mass415.436 Da
  • Monoisotopic mass415.181976 Da
  • ChemSpider ID30192946

More details:






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

[1-(2,4-Difluorbenzoyl)-4-piperidinyl][4-(2-pyrimidinyl)-1-piperazinyl]methanon [German] [ACD/IUPAC Name]
[1-(2,4-Difluorobenzoyl)-4-piperidinyl][4-(2-pyrimidinyl)-1-piperazinyl]methanone [ACD/IUPAC Name]
[1-(2,4-Difluorobenzoyl)-4-pipéridinyl][4-(2-pyrimidinyl)-1-pipérazinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [1-(2,4-difluorobenzoyl)-4-piperidinyl][4-(2-pyrimidinyl)-1-piperazinyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 648.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.9±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 105.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 11.12
ACD/KOC (pH 5.5): 181.09
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 14.43
ACD/KOC (pH 7.4): 234.97
Polar Surface Area: 70 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 309.5±3.0 cm3

Click to predict properties on the Chemicalize site






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