Found 245 results

Search term: MF = 'C_{21}H_{21}FN_{6}O_{3}'
ChemSpider 2D Image | [4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]{4-[(2-fluorophenyl)amino]-1H-1,2,3-triazol-5-yl}methanone | C21H21FN6O3

[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]{4-[(2-fluorophenyl)amino]-1H-1,2,3-triazol-5-yl}methanone

  • Molecular FormulaC21H21FN6O3
  • Average mass424.428 Da
  • Monoisotopic mass424.165924 Da
  • ChemSpider ID25186771

More details:

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

[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]{4-[(2-fluorophenyl)amino]-1H-1,2,3-triazol-5-yl}methanone [ACD/IUPAC Name]
[4-(1,3-Benzodioxol-5-ylméthyl)-1-pipérazinyl]{4-[(2-fluorophényl)amino]-1H-1,2,3-triazol-5-yl}méthanone [French] [ACD/IUPAC Name]
[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]{4-[(2-fluorphenyl)amino]-1H-1,2,3-triazol-5-yl}methanon [German] [ACD/IUPAC Name]
Methanone, [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl][5-[(2-fluorophenyl)amino]-1H-1,2,3-triazol-4-yl]- [ACD/Index Name]
(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-[5-(2-fluoro-phenylamino)-1H-[1,2,3]triazol-4-yl]-methanone
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]{5-[(2-fluorophenyl)amino]-1H-1,2,3-triazol-4-yl}methanone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 621.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.4±31.5 °C
Index of Refraction: 1.687
Molar Refractivity: 110.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 6.11
ACD/KOC (pH 5.5): 90.61
ACD/LogD (pH 7.4): 1.82
ACD/BCF (pH 7.4): 12.81
ACD/KOC (pH 7.4): 190.03
Polar Surface Area: 96 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 75.1±3.0 dyne/cm
Molar Volume: 290.1±3.0 cm3

Click to predict properties on the Chemicalize site


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