ChemSpider 2D Image | Nalpha-{[5-(3,4-Difluorophenyl)-1H-pyrazol-3-yl]carbonyl}-N-[4-(4-methyl-1-piperazinyl)phenyl]tyrosinamide | C30H30F2N6O3

Nα-{[5-(3,4-Difluorophenyl)-1H-pyrazol-3-yl]carbonyl}-N-[4-(4-methyl-1-piperazinyl)phenyl]tyrosinamide

  • Molecular FormulaC30H30F2N6O3
  • Average mass560.594 Da
  • Monoisotopic mass560.234741 Da
  • ChemSpider ID120911008

More details:

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

1H-Pyrazole-3-carboxamide, 5-(3,4-difluorophenyl)-N-[1-[(4-hydroxyphenyl)methyl]-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-2-oxoethyl]- [ACD/Index Name]
Nα-{[5-(3,4-Difluorophenyl)-1H-pyrazol-3-yl]carbonyl}-N-[4-(4-methyl-1-piperazinyl)phenyl]tyrosinamide [ACD/IUPAC Name]
Nα-{[5-(3,4-Difluorophényl)-1H-pyrazol-3-yl]carbonyl}-N-[4-(4-méthyl-1-pipérazinyl)phényl]tyrosinamide [French] [ACD/IUPAC Name]
Nα-{[5-(3,4-Difluorphenyl)-1H-pyrazol-3-yl]carbonyl}-N-[4-(4-methyl-1-piperazinyl)phenyl]tyrosinamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 881.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.5±3.0 kJ/mol
Flash Point: 486.9±34.3 °C
Index of Refraction: 1.650
Molar Refractivity: 150.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.99
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 6.30
ACD/KOC (pH 7.4): 63.02
Polar Surface Area: 114 Å2
Polarizability: 59.6±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 411.8±3.0 cm3

Click to predict properties on the Chemicalize site


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