ChemSpider 2D Image | 4-{4-[2-(3-Chlorophenyl)ethyl]-1-piperazinyl}-2-(2-methoxyethyl)-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]pyrimidine | C33H45ClN6O4

4-{4-[2-(3-Chlorophenyl)ethyl]-1-piperazinyl}-2-(2-methoxyethyl)-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]pyrimidine

  • Molecular FormulaC33H45ClN6O4
  • Average mass625.201 Da
  • Monoisotopic mass624.319092 Da
  • ChemSpider ID121828236

More details:

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

4-{4-[2-(3-Chlorophenyl)ethyl]-1-piperazinyl}-2-(2-methoxyethyl)-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]pyrimidine [ACD/IUPAC Name]
4-{4-[2-(3-Chlorophényl)éthyl]-1-pipérazinyl}-2-(2-méthoxyéthyl)-6-[4-(2,3,4-triméthoxybenzyl)-1-pipérazinyl]pyrimidine [French] [ACD/IUPAC Name]
4-{4-[2-(3-Chlorphenyl)ethyl]-1-piperazinyl}-2-(2-methoxyethyl)-6-[4-(2,3,4-trimethoxybenzyl)-1-piperazinyl]pyrimidin [German] [ACD/IUPAC Name]
Pyrimidine, 4-[4-[2-(3-chlorophenyl)ethyl]-1-piperazinyl]-2-(2-methoxyethyl)-6-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 723.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.5±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 173.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): 1.55
ACD/BCF (pH 7.4): 2.22
ACD/KOC (pH 7.4): 11.89
Polar Surface Area: 76 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 518.8±3.0 cm3

Click to predict properties on the Chemicalize site


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