ChemSpider 2D Image | 6-(4-Isopropyl-3-methyl-1-piperazinyl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]nicotinamide | C21H31N5O2

6-(4-Isopropyl-3-methyl-1-piperazinyl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]nicotinamide

  • Molecular FormulaC21H31N5O2
  • Average mass385.503 Da
  • Monoisotopic mass385.247772 Da
  • ChemSpider ID22155360

More details:

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

3-Pyridinecarboxamide, 6-[3-methyl-4-(1-methylethyl)-1-piperazinyl]-N-[(3-propyl-5-isoxazolyl)methyl]- [ACD/Index Name]
6-(4-Isopropyl-3-methyl-1-piperazinyl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]nicotinamid [German] [ACD/IUPAC Name]
6-(4-Isopropyl-3-methyl-1-piperazinyl)-N-[(3-propyl-1,2-oxazol-5-yl)methyl]nicotinamide [ACD/IUPAC Name]
6-(4-Isopropyl-3-méthyl-1-pipérazinyl)-N-[(3-propyl-1,2-oxazol-5-yl)méthyl]nicotinamide [French] [ACD/IUPAC Name]
6-(4-isopropyl-3-methyl-1-piperazinyl)-N-[(3-propyl-5-isoxazolyl)methyl]nicotinamide

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

Density: 1.1±0.1 g/cm3
Boiling Point: 596.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.6±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 109.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 4.68
ACD/KOC (pH 7.4): 56.14
Polar Surface Area: 75 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 344.5±3.0 cm3

Click to predict properties on the Chemicalize site


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