ChemSpider 2D Image | 6-{[Benzyl(ethyl)amino]methyl}-2-(4-dodecanoyl-1-piperazinyl)-4(1H)-pyrimidinone | C30H47N5O2

6-{[Benzyl(ethyl)amino]methyl}-2-(4-dodecanoyl-1-piperazinyl)-4(1H)-pyrimidinone

  • Molecular FormulaC30H47N5O2
  • Average mass509.727 Da
  • Monoisotopic mass509.372986 Da
  • ChemSpider ID22786934

More details:

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

4(3H)-Pyrimidinone, 6-[[ethyl(phenylmethyl)amino]methyl]-2-[4-(1-oxododecyl)-1-piperazinyl]- [ACD/Index Name]
6-{[Benzyl(ethyl)amino]methyl}-2-(4-dodecanoyl-1-piperazinyl)-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
6-{[Benzyl(ethyl)amino]methyl}-2-(4-dodecanoyl-1-piperazinyl)-4(1H)-pyrimidinone [ACD/IUPAC Name]
6-{[Benzyl(éthyl)amino]méthyl}-2-(4-dodecanoyl-1-pipérazinyl)-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.571
Molar Refractivity: 152.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 27.18
ACD/KOC (pH 5.5): 51.83
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 438.33
ACD/KOC (pH 7.4): 835.90
Polar Surface Area: 68 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 464.0±7.0 cm3

Click to predict properties on the Chemicalize site


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