ChemSpider 2D Image | 4-{4-[4-(Difluoromethoxy)-3-methoxybenzyl]-1-piperazinyl}-2-isopropyl-6-methylpyrimidine | C21H28F2N4O2

4-{4-[4-(Difluoromethoxy)-3-methoxybenzyl]-1-piperazinyl}-2-isopropyl-6-methylpyrimidine

  • Molecular FormulaC21H28F2N4O2
  • Average mass406.469 Da
  • Monoisotopic mass406.218048 Da
  • ChemSpider ID30534984

More details:

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

4-{4-[4-(Difluormethoxy)-3-methoxybenzyl]-1-piperazinyl}-2-isopropyl-6-methylpyrimidin [German] [ACD/IUPAC Name]
4-{4-[4-(Difluoromethoxy)-3-methoxybenzyl]-1-piperazinyl}-2-isopropyl-6-methylpyrimidine [ACD/IUPAC Name]
4-{4-[4-(Difluorométhoxy)-3-méthoxybenzyl]-1-pipérazinyl}-2-isopropyl-6-méthylpyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-[4-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-piperazinyl]-6-methyl-2-(1-methylethyl)- [ACD/Index Name]
4-(4-{[4-(DIFLUOROMETHOXY)-3-METHOXYPHENYL]METHYL}PIPERAZIN-1-YL)-2-ISOPROPYL-6-METHYLPYRIMIDINE
4-(4-{[4-(DIFLUOROMETHOXY)-3-METHOXYPHENYL]METHYL}PIPERAZIN-1-YL)-6-METHYL-2-(PROPAN-2-YL)PYRIMIDINE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 495.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.3±3.0 kJ/mol
Flash Point: 253.4±28.7 °C
Index of Refraction: 1.542
Molar Refractivity: 108.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.59
ACD/LogD (pH 7.4): 1.81
ACD/BCF (pH 7.4): 7.71
ACD/KOC (pH 7.4): 73.70
Polar Surface Area: 51 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 343.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement