ChemSpider 2D Image | 3-(5-{5-[(E)-2-(2-Chlorophenyl)vinyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-(4-morpholinyl)-1-propanone | C23H21ClN6O3

3-(5-{5-[(E)-2-(2-Chlorophenyl)vinyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-(4-morpholinyl)-1-propanone

  • Molecular FormulaC23H21ClN6O3
  • Average mass464.904 Da
  • Monoisotopic mass464.136353 Da
  • ChemSpider ID29116436

  • Double-bond stereo - Double-bond stereo

More details:

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

1-Propanone, 3-[5-[5-[(E)-2-(2-chlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl]-1-(4-morpholinyl)- [ACD/Index Name]
3-(5-{5-[(E)-2-(2-Chlorophenyl)vinyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-(4-morpholinyl)-1-propanone [ACD/IUPAC Name]
3-(5-{5-[(E)-2-(2-Chlorophényl)vinyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-(4-morpholinyl)-1-propanone [French] [ACD/IUPAC Name]
3-(5-{5-[(E)-2-(2-Chlorphenyl)vinyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-(4-morpholinyl)-1-propanon [German] [ACD/IUPAC Name]
3-(5-{5-[(E)-2-(2-chlorophenyl)-1-ethenyl]-1,2,4-oxadiazol-3-yl}-1H-1,2,3-benzotriazol-1-yl)-1-morpholino-1-propanone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 741.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.1±3.0 kJ/mol
Flash Point: 402.3±35.7 °C
Index of Refraction: 1.704
Molar Refractivity: 124.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 152.96
ACD/KOC (pH 5.5): 1274.48
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 152.96
ACD/KOC (pH 7.4): 1274.48
Polar Surface Area: 99 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 319.9±7.0 cm3

Click to predict properties on the Chemicalize site


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