ChemSpider 2D Image | N-(3-{4-[5-(4-Isobutyl-1-piperazinyl)-3-pyridinyl]-1H-1,2,3-triazol-1-yl}-4-methylphenyl)-5-(2-methyl-2-propanyl)-2-furamide | C31H39N7O2

N-(3-{4-[5-(4-Isobutyl-1-piperazinyl)-3-pyridinyl]-1H-1,2,3-triazol-1-yl}-4-methylphenyl)-5-(2-methyl-2-propanyl)-2-furamide

  • Molecular FormulaC31H39N7O2
  • Average mass541.687 Da
  • Monoisotopic mass541.316528 Da
  • ChemSpider ID61726234

More details:

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

2-Furancarboxamide, 5-(1,1-dimethylethyl)-N-[4-methyl-3-[4-[5-[4-(2-methylpropyl)-1-piperazinyl]-3-pyridinyl]-1H-1,2,3-triazol-1-yl]phenyl]- [ACD/Index Name]
N-(3-{4-[5-(4-Isobutyl-1-piperazinyl)-3-pyridinyl]-1H-1,2,3-triazol-1-yl}-4-methylphenyl)-5-(2-methyl-2-propanyl)-2-furamid [German] [ACD/IUPAC Name]
N-(3-{4-[5-(4-Isobutyl-1-piperazinyl)-3-pyridinyl]-1H-1,2,3-triazol-1-yl}-4-methylphenyl)-5-(2-methyl-2-propanyl)-2-furamide [ACD/IUPAC Name]
N-(3-{4-[5-(4-Isobutyl-1-pipérazinyl)-3-pyridinyl]-1H-1,2,3-triazol-1-yl}-4-méthylphényl)-5-(2-méthyl-2-propanyl)-2-furamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 158.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 2.38
ACD/BCF (pH 5.5): 12.00
ACD/KOC (pH 5.5): 52.78
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 562.69
ACD/KOC (pH 7.4): 2475.43
Polar Surface Area: 92 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 45.8±7.0 dyne/cm
Molar Volume: 443.4±7.0 cm3

Click to predict properties on the Chemicalize site


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