ChemSpider 2D Image | 4'-[({6-[(4-{[1-Methyl-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}-1-piperazinyl)methyl]-4-oxo-4H-pyran-3-yl}oxy)methyl]-2-biphenylcarbonitrile | C33H35N5O4

4'-[({6-[(4-{[1-Methyl-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}-1-piperazinyl)methyl]-4-oxo-4H-pyran-3-yl}oxy)methyl]-2-biphenylcarbonitrile

  • Molecular FormulaC33H35N5O4
  • Average mass565.662 Da
  • Monoisotopic mass565.268921 Da
  • ChemSpider ID22745300

More details:

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

[1,1'-Biphenyl]-2-carbonitrile, 4'-[[[6-[[4-[[3-(1,1-dimethylethyl)-1-methyl-1H-pyrazol-5-yl]carbonyl]-1-piperazinyl]methyl]-4-oxo-4H-pyran-3-yl]oxy]methyl]- [ACD/Index Name]
4'-[({6-[(4-{[1-Methyl-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}-1-piperazinyl)methyl]-4-oxo-4H-pyran-3-yl}oxy)methyl]-2-biphenylcarbonitril [German] [ACD/IUPAC Name]
4'-[({6-[(4-{[1-Methyl-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}-1-piperazinyl)methyl]-4-oxo-4H-pyran-3-yl}oxy)methyl]-2-biphenylcarbonitrile [ACD/IUPAC Name]
4'-[({6-[(4-{[1-Méthyl-3-(2-méthyl-2-propanyl)-1H-pyrazol-5-yl]carbonyl}-1-pipérazinyl)méthyl]-4-oxo-4H-pyran-3-yl}oxy)méthyl]-2-biphénylcarbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 805.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 440.7±34.3 °C
Index of Refraction: 1.621
Molar Refractivity: 163.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.76
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 4.01
ACD/KOC (pH 5.5): 36.55
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 83.10
ACD/KOC (pH 7.4): 756.91
Polar Surface Area: 101 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 463.6±7.0 cm3

Click to predict properties on the Chemicalize site


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