ChemSpider 2D Image | 4-Biphenylyl{3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone | C27H20ClN5OS

4-Biphenylyl{3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone

  • Molecular FormulaC27H20ClN5OS
  • Average mass497.999 Da
  • Monoisotopic mass497.107697 Da
  • ChemSpider ID129066308

More details:

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

4-Biphenylyl{3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanone [ACD/IUPAC Name]
4-Biphénylyl{3-[2-(2-chlorophényl)-1,3-thiazol-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}méthanone [French] [ACD/IUPAC Name]
4-Biphenylyl{3-[2-(2-chlorphenyl)-1,3-thiazol-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}methanon [German] [ACD/IUPAC Name]
Methanone, [1,1'-biphenyl]-4-yl[3-[2-(2-chlorophenyl)-4-thiazolyl]-5,6-dihydro-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]- [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: 777.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 423.9±35.7 °C
Index of Refraction: 1.739
Molar Refractivity: 142.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.32
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2595.64
ACD/KOC (pH 5.5): 9671.88
ACD/LogD (pH 7.4): 4.80
ACD/BCF (pH 7.4): 2595.66
ACD/KOC (pH 7.4): 9671.95
Polar Surface Area: 92 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 59.7±7.0 dyne/cm
Molar Volume: 352.5±7.0 cm3

Click to predict properties on the Chemicalize site


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