ChemSpider 2D Image | 3-(3-{4-[(4-Tetradecyl-1-piperazinyl)carbonyl]phenyl}propyl)-1,2,4-oxadiazol-5(2H)-one | C30H48N4O3

3-(3-{4-[(4-Tetradecyl-1-piperazinyl)carbonyl]phenyl}propyl)-1,2,4-oxadiazol-5(2H)-one

  • Molecular FormulaC30H48N4O3
  • Average mass512.727 Da
  • Monoisotopic mass512.372620 Da
  • ChemSpider ID23324338

More details:

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

1,2,4-Oxadiazol-5(4H)-one, 3-[3-[4-[(4-tetradecyl-1-piperazinyl)carbonyl]phenyl]propyl]- [ACD/Index Name]
3-(3-{4-[(4-Tetradecyl-1-piperazinyl)carbonyl]phenyl}propyl)-1,2,4-oxadiazol-5(2H)-on [German] [ACD/IUPAC Name]
3-(3-{4-[(4-Tetradecyl-1-piperazinyl)carbonyl]phenyl}propyl)-1,2,4-oxadiazol-5(2H)-one [ACD/IUPAC Name]
3-(3-{4-[(4-Tétradécyl-1-pipérazinyl)carbonyl]phényl}propyl)-1,2,4-oxadiazol-5(2H)-one [French] [ACD/IUPAC Name]
3-(3-{4-[(4-tetradecylpiperazin-1-yl)carbonyl]phenyl}propyl)-1,2,4-oxadiazol-5(4H)-one
1-[4-(4,5-dihydro-1,2,4[4H]-5-oxo-oxadiazol-3-ylpropyl)benzoyl]-4-tetradecylpiperazine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL269819/

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.565
Molar Refractivity: 150.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 6.45
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 12529.16
ACD/KOC (pH 5.5): 14159.07
ACD/LogD (pH 7.4): 7.01
ACD/BCF (pH 7.4): 112203.38
ACD/KOC (pH 7.4): 126799.90
Polar Surface Area: 74 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 460.6±7.0 cm3

Click to predict properties on the Chemicalize site


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