Found 1 result

Search term: YPVFJFDJTITJSK-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 8-(4-Fluoro-3-{[4-(trifluoroacetyl)-1-piperazinyl]carbonyl}benzyl)-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5(1H)-one | C21H21F4N5O3

8-(4-Fluoro-3-{[4-(trifluoroacetyl)-1-piperazinyl]carbonyl}benzyl)-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5(1H)-one

  • Molecular FormulaC21H21F4N5O3
  • Average mass467.417 Da
  • Monoisotopic mass467.158051 Da
  • ChemSpider ID28514981

More details:

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

8-(4-Fluor-3-{[4-(trifluoracetyl)-1-piperazinyl]carbonyl}benzyl)-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5(1H)-on [German] [ACD/IUPAC Name]
8-(4-Fluoro-3-{[4-(2,2,2-trifluoroacétyl)-1-pipérazinyl]carbonyl}benzyl)-2,3,4,6-tétrahydropyrido[2,3-d]pyridazin-5(1H)-one [French] [ACD/IUPAC Name]
8-(4-Fluoro-3-{[4-(trifluoroacetyl)-1-piperazinyl]carbonyl}benzyl)-2,3,4,6-tetrahydropyrido[2,3-d]pyridazin-5(1H)-one [ACD/IUPAC Name]
Pyrido[2,3-d]pyridazin-5(1H)-one, 8-[[4-fluoro-3-[[4-(2,2,2-trifluoroacetyl)-1-piperazinyl]carbonyl]phenyl]methyl]-2,3,4,6-tetrahydro- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 108.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.24
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 35.07
ACD/LogD (pH 7.4): 0.33
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 35.87
Polar Surface Area: 94 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 300.8±7.0 cm3

Click to predict properties on the Chemicalize site


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