ChemSpider 2D Image | 2-(4-Chlorophenyl)-4-[4-(6-phenyl-4-pyrimidinyl)-1-piperazinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine | C27H25ClN6

2-(4-Chlorophenyl)-4-[4-(6-phenyl-4-pyrimidinyl)-1-piperazinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

  • Molecular FormulaC27H25ClN6
  • Average mass468.981 Da
  • Monoisotopic mass468.182922 Da
  • ChemSpider ID67816871

More details:






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

2-(4-Chlorophenyl)-4-[4-(6-phenyl-4-pyrimidinyl)-1-piperazinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine [ACD/IUPAC Name]
2-(4-Chlorophényl)-4-[4-(6-phényl-4-pyrimidinyl)-1-pipérazinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine [French] [ACD/IUPAC Name]
2-(4-Chlorphenyl)-4-[4-(6-phenyl-4-pyrimidinyl)-1-piperazinyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin [German] [ACD/IUPAC Name]
5H-Cyclopenta[d]pyrimidine, 2-(4-chlorophenyl)-6,7-dihydro-4-[4-(6-phenyl-4-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: 647.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 345.3±31.5 °C
Index of Refraction: 1.658
Molar Refractivity: 133.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.83
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 93.87
ACD/KOC (pH 5.5): 253.05
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6246.02
ACD/KOC (pH 7.4): 16837.64
Polar Surface Area: 58 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 61.3±3.0 dyne/cm
Molar Volume: 361.5±3.0 cm3

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