ChemSpider 2D Image | [4-(Diethylamino)phenyl]{4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl}methanone | C22H29N7O2

[4-(Diethylamino)phenyl]{4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl}methanone

  • Molecular FormulaC22H29N7O2
  • Average mass423.511 Da
  • Monoisotopic mass423.238281 Da
  • ChemSpider ID35299577

More details:

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

[4-(Diethylamino)phenyl]{4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl}methanon [German] [ACD/IUPAC Name]
[4-(Diethylamino)phenyl]{4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl}methanone [ACD/IUPAC Name]
[4-(Diéthylamino)phényl]{4-[4-(3-éthyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-pipéridinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, [4-(diethylamino)phenyl][4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]-1-piperidinyl]- [ACD/Index Name]
[4-(diethylamino)phenyl]{4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidino}methanone
N,N-diethyl-4-({4-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-1,2,3-triazol-1-yl]piperidin-1-yl}carbonyl)aniline

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

Density: 1.3±0.1 g/cm3
Boiling Point: 657.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.5±34.3 °C
Index of Refraction: 1.657
Molar Refractivity: 119.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 41.82
ACD/KOC (pH 5.5): 425.65
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 74.89
ACD/KOC (pH 7.4): 762.23
Polar Surface Area: 93 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 51.1±7.0 dyne/cm
Molar Volume: 324.8±7.0 cm3

Click to predict properties on the Chemicalize site


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