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Search term: VTANENIXKSZODB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-(1-Azepanyl)-3-{5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-propanone | C24H28N8O2

1-(1-Azepanyl)-3-{5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-propanone

  • Molecular FormulaC24H28N8O2
  • Average mass460.531 Da
  • Monoisotopic mass460.233521 Da
  • ChemSpider ID29116532

More details:

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

1-(1-Azepanyl)-3-{5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-propanon [German] [ACD/IUPAC Name]
1-(1-Azepanyl)-3-{5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-propanone [ACD/IUPAC Name]
1-(1-Azépanyl)-3-{5-[5-(4,5,6,7-tétrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(hexahydro-1H-azepin-1-yl)-3-[5-[5-(4,5,6,7-tetrahydro-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazol-1-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 800.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 438.1±37.1 °C
Index of Refraction: 1.780
Molar Refractivity: 126.3±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 350.58
ACD/KOC (pH 5.5): 2307.61
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 350.47
ACD/KOC (pH 7.4): 2306.88
Polar Surface Area: 119 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 67.8±7.0 dyne/cm
Molar Volume: 301.0±7.0 cm3

Click to predict properties on the Chemicalize site


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