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Search term: XVTJTIIEPCXIHJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-[5-(2,4-Dimethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)ethanone | C26H30FN3O5

1-[5-(2,4-Dimethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)ethanone

  • Molecular FormulaC26H30FN3O5
  • Average mass483.532 Da
  • Monoisotopic mass483.216949 Da
  • ChemSpider ID22649205

More details:

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

1-[5-(2,4-Dimethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)ethanone [ACD/IUPAC Name]
1-[5-(2,4-Diméthoxyphényl)-3-(4-fluorophényl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]déc-8-yl)éthanone [French] [ACD/IUPAC Name]
1-[5-(2,4-Dimethoxyphenyl)-3-(4-fluorphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[5-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 607.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 321.0±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 127.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 12.13
ACD/KOC (pH 5.5): 65.03
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 407.14
ACD/KOC (pH 7.4): 2183.08
Polar Surface Area: 73 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 47.2±7.0 dyne/cm
Molar Volume: 364.2±7.0 cm3

Click to predict properties on the Chemicalize site


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