ChemSpider 2D Image | 4-[4-(2-Fluorophenyl)-1-piperazinyl]-2-(2-methylphenyl)-6-[4-(3-methyl-4H-1,2,4-triazol-4-yl)-1-piperidinyl]pyrimidine | C29H33FN8

4-[4-(2-Fluorophenyl)-1-piperazinyl]-2-(2-methylphenyl)-6-[4-(3-methyl-4H-1,2,4-triazol-4-yl)-1-piperidinyl]pyrimidine

  • Molecular FormulaC29H33FN8
  • Average mass512.624 Da
  • Monoisotopic mass512.281250 Da
  • ChemSpider ID121869913

More details:

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

4-[4-(2-Fluorophenyl)-1-piperazinyl]-2-(2-methylphenyl)-6-[4-(3-methyl-4H-1,2,4-triazol-4-yl)-1-piperidinyl]pyrimidine [ACD/IUPAC Name]
4-[4-(2-Fluorophényl)-1-pipérazinyl]-2-(2-méthylphényl)-6-[4-(3-méthyl-4H-1,2,4-triazol-4-yl)-1-pipéridinyl]pyrimidine [French] [ACD/IUPAC Name]
4-[4-(2-Fluorphenyl)-1-piperazinyl]-2-(2-methylphenyl)-6-[4-(3-methyl-4H-1,2,4-triazol-4-yl)-1-piperidinyl]pyrimidin [German] [ACD/IUPAC Name]
Pyrimidine, 4-[4-(2-fluorophenyl)-1-piperazinyl]-2-(2-methylphenyl)-6-[4-(3-methyl-4H-1,2,4-triazol-4-yl)-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 676.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.7±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 148.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 5.14
ACD/KOC (pH 5.5): 21.49
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 6.63
ACD/KOC (pH 7.4): 27.74
Polar Surface Area: 66 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 390.8±7.0 cm3

Click to predict properties on the Chemicalize site


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