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Search term: FCCIONZNDMHRMD (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 3-(4-Acetyl-1-piperazinyl)-4-[(3-fluorobenzyl)amino]-3-cyclobutene-1,2-dione | C17H18FN3O3

3-(4-Acetyl-1-piperazinyl)-4-[(3-fluorobenzyl)amino]-3-cyclobutene-1,2-dione

  • Molecular FormulaC17H18FN3O3
  • Average mass331.341 Da
  • Monoisotopic mass331.133209 Da
  • ChemSpider ID27322662

More details:






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

3-(4-Acetyl-1-piperazinyl)-4-[(3-fluorbenzyl)amino]-3-cyclobuten-1,2-dion [German] [ACD/IUPAC Name]
3-(4-Acetyl-1-piperazinyl)-4-[(3-fluorobenzyl)amino]-3-cyclobutene-1,2-dione [ACD/IUPAC Name]
3-(4-Acétyl-1-pipérazinyl)-4-[(3-fluorobenzyl)amino]-3-cyclobutène-1,2-dione [French] [ACD/IUPAC Name]
3-Cyclobutene-1,2-dione, 3-(4-acetyl-1-piperazinyl)-4-[[(3-fluorophenyl)methyl]amino]- [ACD/Index Name]
1282126-92-4 [RN]
3-(4-acetylpiperazin-1-yl)-4-[(3-fluorobenzyl)amino]cyclobut-3-ene-1,2-dione
3-(4-acetylpiperazin-1-yl)-4-[(3-fluorophenyl)methylamino]cyclobut-3-ene-1,2-dione
C17H18FN3O3

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 514.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 264.7±32.9 °C
Index of Refraction: 1.620
Molar Refractivity: 84.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.17
ACD/KOC (pH 5.5): 60.58
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.17
ACD/KOC (pH 7.4): 60.58
Polar Surface Area: 70 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 241.9±5.0 cm3

Click to predict properties on the Chemicalize site






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