ChemSpider 2D Image | 4-[2-(4-Chlorobenzyl)-1-pyrrolidinyl]-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine | C30H31ClN6

4-[2-(4-Chlorobenzyl)-1-pyrrolidinyl]-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine

  • Molecular FormulaC30H31ClN6
  • Average mass511.060 Da
  • Monoisotopic mass510.229858 Da
  • ChemSpider ID121842228

More details:

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

4-[2-(4-Chlorbenzyl)-1-pyrrolidinyl]-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidin [German] [ACD/IUPAC Name]
4-[2-(4-Chlorobenzyl)-1-pyrrolidinyl]-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]pyrimidine [ACD/IUPAC Name]
4-[2-(4-Chlorobenzyl)-1-pyrrolidinyl]-2-phényl-6-[4-(2-pyridinyl)-1-pipérazinyl]pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-[2-[(4-chlorophenyl)methyl]-1-pyrrolidinyl]-2-phenyl-6-[4-(2-pyridinyl)-1-piperazinyl]- [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: 654.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.3±3.0 kJ/mol
Flash Point: 349.4±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 147.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 3.26
ACD/KOC (pH 5.5): 8.24
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 16.02
ACD/KOC (pH 7.4): 40.47
Polar Surface Area: 48 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 58.3±3.0 dyne/cm
Molar Volume: 406.7±3.0 cm3

Click to predict properties on the Chemicalize site


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