ChemSpider 2D Image | 1-[(1-Ethyl-1H-pyrazol-4-yl)sulfonyl]-2-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine | C16H25N5O5S

1-[(1-Ethyl-1H-pyrazol-4-yl)sulfonyl]-2-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine

  • Molecular FormulaC16H25N5O5S
  • Average mass399.465 Da
  • Monoisotopic mass399.157654 Da
  • ChemSpider ID53596775

More details:






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

1-[(1-Ethyl-1H-pyrazol-4-yl)sulfonyl]-2-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidin [German] [ACD/IUPAC Name]
1-[(1-Ethyl-1H-pyrazol-4-yl)sulfonyl]-2-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidine [ACD/IUPAC Name]
1-[(1-Éthyl-1H-pyrazol-4-yl)sulfonyl]-2-{5-[(2-méthoxyéthoxy)méthyl]-1,2,4-oxadiazol-3-yl}pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-2-[5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 578.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.5±3.0 kJ/mol
Flash Point: 303.4±32.9 °C
Index of Refraction: 1.632
Molar Refractivity: 99.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 0.33
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.23
ACD/KOC (pH 5.5): 80.49
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.23
ACD/KOC (pH 7.4): 80.49
Polar Surface Area: 121 Å2
Polarizability: 39.4±0.5 10-24cm3
Surface Tension: 55.3±7.0 dyne/cm
Molar Volume: 278.3±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement