ChemSpider 2D Image | 1-({3-[3-(1,3-Benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-5,6-dihydro-1(4H)-pyridazinyl}acetyl)-4-piperidinecarboxamide | C21H22N6O6

1-({3-[3-(1,3-Benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-5,6-dihydro-1(4H)-pyridazinyl}acetyl)-4-piperidinecarboxamide

  • Molecular FormulaC21H22N6O6
  • Average mass454.436 Da
  • Monoisotopic mass454.160095 Da
  • ChemSpider ID31094383

More details:

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

1-({3-[3-(1,3-Benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-5,6-dihydro-1(4H)-pyridazinyl}acetyl)-4-piperidincarboxamid [German] [ACD/IUPAC Name]
1-({3-[3-(1,3-Benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-5,6-dihydro-1(4H)-pyridazinyl}acetyl)-4-piperidinecarboxamide [ACD/IUPAC Name]
1-(2-{3-[3-(1,3-Benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-5,6-dihydro-1(4H)-pyridazinyl}acétyl)-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-Piperidinecarboxamide, 1-[2-[3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-5,6-dihydro-6-oxo-1(4H)-pyridazinyl]acetyl]- [ACD/Index Name]
1-({3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-6-oxo-5,6-dihydropyridazin-1(4H)-yl}acetyl)piperidine-4-carboxamide

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

Density: 1.7±0.1 g/cm3
Boiling Point: 751.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 408.3±35.7 °C
Index of Refraction: 1.765
Molar Refractivity: 112.3±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.72
ACD/LogD (pH 5.5): -1.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.51
ACD/LogD (pH 7.4): -1.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.51
Polar Surface Area: 153 Å2
Polarizability: 44.5±0.5 10-24cm3
Surface Tension: 75.5±7.0 dyne/cm
Molar Volume: 271.5±7.0 cm3

Click to predict properties on the Chemicalize site


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