ChemSpider 2D Image | 1-(4-{4-[3-Acetyl-5-(4-ethoxyphenyl)-1-phenyl-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}-1-piperazinyl)-1-propanone | C31H35N5O3

1-(4-{4-[3-Acetyl-5-(4-ethoxyphenyl)-1-phenyl-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}-1-piperazinyl)-1-propanone

  • Molecular FormulaC31H35N5O3
  • Average mass525.641 Da
  • Monoisotopic mass525.273987 Da
  • ChemSpider ID2497960

More details:

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

1-(4-{4-[3-Acetyl-5-(4-ethoxyphenyl)-1-phenyl-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}-1-piperazinyl)-1-propanon [German] [ACD/IUPAC Name]
1-(4-{4-[3-Acetyl-5-(4-ethoxyphenyl)-1-phenyl-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}-1-piperazinyl)-1-propanone [ACD/IUPAC Name]
1-(4-{4-[3-Acétyl-5-(4-éthoxyphényl)-1-phényl-1,5-dihydro-4H-1,2,4-triazol-4-yl]phényl}-1-pipérazinyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[4-[4-[3-acetyl-5-(4-ethoxyphenyl)-1,5-dihydro-1-phenyl-4H-1,2,4-triazol-4-yl]phenyl]-1-piperazinyl]- [ACD/Index Name]
1-(4-{4-[3-Acetyl-5-(4-ethoxy-phenyl)-1-phenyl-1,5-dihydro-[1,2,4]triazol-4-yl]-phenyl}-piperazin-1-yl)-propan-1-one
1-(4-{4-[3-acetyl-5-(4-ethoxyphenyl)-1-phenyl-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}piperazin-1-yl)propan-1-one
1-{5-(4-ethoxyphenyl)-1-phenyl-4-[4-(4-propionylpiperazin-1-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethanone
piperazine, 1-[4-[3-acetyl-5-(4-ethoxyphenyl)-1,5-dihydro-1-phenyl-4H-1,2,4-triazol-4-yl]phenyl]-4-(1-oxopropyl)-

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

Density: 1.2±0.1 g/cm3
Boiling Point: 714.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.4±3.0 kJ/mol
Flash Point: 385.7±35.7 °C
Index of Refraction: 1.627
Molar Refractivity: 154.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.35
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 632.70
ACD/KOC (pH 5.5): 3511.81
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 638.66
ACD/KOC (pH 7.4): 3544.85
Polar Surface Area: 69 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 434.6±7.0 cm3

Click to predict properties on the Chemicalize site


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