ChemSpider 2D Image | 7-[(4-Methyl-1-piperazinyl)methyl]-4-[(3-methyl-1H-pyrazol-5-yl)amino]-2-(tetrahydro-2H-pyran-4-yl)-1(2H)-phthalazinone | C23H31N7O2

7-[(4-Methyl-1-piperazinyl)methyl]-4-[(3-methyl-1H-pyrazol-5-yl)amino]-2-(tetrahydro-2H-pyran-4-yl)-1(2H)-phthalazinone

  • Molecular FormulaC23H31N7O2
  • Average mass437.538 Da
  • Monoisotopic mass437.253937 Da
  • ChemSpider ID25060773

More details:

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

1(2H)-Phthalazinone, 7-[(4-methyl-1-piperazinyl)methyl]-4-[(3-methyl-1H-pyrazol-5-yl)amino]-2-(tetrahydro-2H-pyran-4-yl)- [ACD/Index Name]
7-[(4-Méthyl-1-pipérazinyl)méthyl]-4-[(3-méthyl-1H-pyrazol-5-yl)amino]-2-(tétrahydro-2H-pyran-4-yl)-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
7-[(4-Methyl-1-piperazinyl)methyl]-4-[(3-methyl-1H-pyrazol-5-yl)amino]-2-(tetrahydro-2H-pyran-4-yl)-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
7-[(4-Methyl-1-piperazinyl)methyl]-4-[(3-methyl-1H-pyrazol-5-yl)amino]-2-(tetrahydro-2H-pyran-4-yl)-1(2H)-phthalazinone [ACD/IUPAC Name]
7-[(4-methylpiperazin-1-yl)methyl]-4-[(3-methyl-1H-pyrazol-5-yl)amino]-2-(tetrahydro-2H-pyran-4-yl)phthalazin-1(2H)-one

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

614 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 656.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.6±34.3 °C
Index of Refraction: 1.705
Molar Refractivity: 121.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.15
ACD/LogD (pH 5.5): -1.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.28
Polar Surface Area: 89 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 313.2±7.0 cm3

Click to predict properties on the Chemicalize site


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