ChemSpider 2D Image | 2-{3-[4-(3-Chlorophenyl)-1-piperazinyl](~2~H_6_)propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one | C25H26D6ClN5O2

2-{3-[4-(3-Chlorophenyl)-1-piperazinyl](2H6)propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

  • Molecular FormulaC25H26D6ClN5O2
  • Average mass476.044 Da
  • Monoisotopic mass475.262115 Da
  • ChemSpider ID78333983

  • Non-standard isotope - Non-standard isotope

More details:

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

2-{3-[4-(3-Chlorophenyl)-1-piperazinyl](2H6)propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-one [ACD/IUPAC Name]
2-{3-[4-(3-Chlorophényl)-1-pipérazinyl](2H6)propyl}-5-éthyl-4-(2-phénoxyéthyl)-2,4-dihydro-3H-1,2,4-triazol-3-one [French] [ACD/IUPAC Name]
2-{3-[4-(3-Chlorphenyl)-1-piperazinyl](2H6)propyl}-5-ethyl-4-(2-phenoxyethyl)-2,4-dihydro-3H-1,2,4-triazol-3-on [German] [ACD/IUPAC Name]
3H-1,2,4-Triazol-3-one, 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl-1,1,2,2,3,3-d6]-5-ethyl-2,4-dihydro-4-(2-phenoxyethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 599.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.4±32.9 °C
Index of Refraction: 1.616
Molar Refractivity: 133.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 5.27
ACD/KOC (pH 5.5): 27.91
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 469.66
ACD/KOC (pH 7.4): 2488.59
Polar Surface Area: 52 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 380.7±7.0 cm3

Click to predict properties on the Chemicalize site


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