ChemSpider 2D Image | 1-{3-[4-(3-Methylphenyl)-1-piperazinyl]propyl}-3-[6-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]urea | C22H28N8O

1-{3-[4-(3-Methylphenyl)-1-piperazinyl]propyl}-3-[6-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]urea

  • Molecular FormulaC22H28N8O
  • Average mass420.511 Da
  • Monoisotopic mass420.238617 Da
  • ChemSpider ID30727744

More details:

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

1-{3-[4-(3-Methylphenyl)-1-piperazinyl]propyl}-3-[6-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]harnstoff [German] [ACD/IUPAC Name]
1-{3-[4-(3-Methylphenyl)-1-piperazinyl]propyl}-3-[6-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]urea [ACD/IUPAC Name]
1-{3-[4-(3-Méthylphényl)-1-pipérazinyl]propyl}-3-[6-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]urée [French] [ACD/IUPAC Name]
Urea, N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]-N'-[6-(1H-1,2,4-triazol-1-yl)-3-pyridinyl]- [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 121.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.82
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 3.74
ACD/KOC (pH 7.4): 71.83
Polar Surface Area: 91 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 54.9±7.0 dyne/cm
Molar Volume: 324.8±7.0 cm3

Click to predict properties on the Chemicalize site


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