Found 33 results

Search term: MF = 'C_{33}H_{44}N_{6}O_{4}'
ChemSpider 2D Image | 4-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-methoxyphenyl)-6-[4-(3-methoxypropyl)-3,5-dimethyl-1-piperazinyl]pyrimidine | C33H44N6O4

4-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-methoxyphenyl)-6-[4-(3-methoxypropyl)-3,5-dimethyl-1-piperazinyl]pyrimidine

  • Molecular FormulaC33H44N6O4
  • Average mass588.740 Da
  • Monoisotopic mass588.342407 Da
  • ChemSpider ID121960536

More details:

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

4-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-methoxyphenyl)-6-[4-(3-methoxypropyl)-3,5-dimethyl-1-piperazinyl]pyrimidin [German] [ACD/IUPAC Name]
4-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-methoxyphenyl)-6-[4-(3-methoxypropyl)-3,5-dimethyl-1-piperazinyl]pyrimidine [ACD/IUPAC Name]
4-[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]-2-(3-méthoxyphényl)-6-[4-(3-méthoxypropyl)-3,5-diméthyl-1-pipérazinyl]pyrimidine [French] [ACD/IUPAC Name]
Pyrimidine, 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(3-methoxyphenyl)-6-[4-(3-methoxypropyl)-3,5-dimethyl-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: 675.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 362.1±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 166.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 2.05
ACD/KOC (pH 7.4): 9.81
Polar Surface Area: 76 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 498.2±3.0 cm3

Click to predict properties on the Chemicalize site


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