ChemSpider 2D Image | 2-{[4-Allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-piperazinyl}ethanone | C21H24ClN7O2S

2-{[4-Allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-piperazinyl}ethanone

  • Molecular FormulaC21H24ClN7O2S
  • Average mass473.979 Da
  • Monoisotopic mass473.140076 Da
  • ChemSpider ID68675495

More details:

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

2-{[4-Allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-piperazinyl}ethanone [ACD/IUPAC Name]
2-{[4-Allyl-5-(3-chlorophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{4-[(5-méthyl-1,3,4-oxadiazol-2-yl)méthyl]-1-pipérazinyl}éthanone [French] [ACD/IUPAC Name]
2-{[4-Allyl-5-(3-chlorphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-{4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-piperazinyl}ethanon [German] [ACD/IUPAC Name]
Ethanone, 2-[[5-(3-chlorophenyl)-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-piperazinyl]- [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: 700.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.6±35.7 °C
Index of Refraction: 1.691
Molar Refractivity: 127.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.82
ACD/KOC (pH 5.5): 385.63
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.87
ACD/KOC (pH 7.4): 386.36
Polar Surface Area: 118 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 333.4±7.0 cm3

Click to predict properties on the Chemicalize site


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