Found 25 results

Search term: MF = 'C_{22}H_{19}F_{2}N_{3}'
ChemSpider 2D Image | 4-((2,6-Difluorophenyl)ethynyl)-1-(4-methylpiperazin-1-yl)isoquinoline | C22H19F2N3

4-((2,6-Difluorophenyl)ethynyl)-1-(4-methylpiperazin-1-yl)isoquinoline

  • Molecular FormulaC22H19F2N3
  • Average mass363.403 Da
  • Monoisotopic mass363.154694 Da
  • ChemSpider ID64870827

More details:

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

4-((2,6-Difluorophenyl)ethynyl)-1-(4-methylpiperazin-1-yl)isoquinoline
4-[(2,6-Difluorophényl)éthynyl]-1-(4-méthyl-1-pipérazinyl)isoquinoléine [French] [ACD/IUPAC Name]
4-[(2,6-Difluorophenyl)ethynyl]-1-(4-methyl-1-piperazinyl)isoquinoline [ACD/IUPAC Name]
4-[(2,6-Difluorphenyl)ethinyl]-1-(4-methyl-1-piperazinyl)isochinolin [German] [ACD/IUPAC Name]
Isoquinoline, 4-[2-(2,6-difluorophenyl)ethynyl]-1-(4-methyl-1-piperazinyl)- [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: 533.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.4±30.1 °C
Index of Refraction: 1.668
Molar Refractivity: 103.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.82
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 7.01
ACD/KOC (pH 5.5): 26.64
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 908.14
ACD/KOC (pH 7.4): 3450.49
Polar Surface Area: 19 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 276.9±5.0 cm3

Click to predict properties on the Chemicalize site


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