ChemSpider 2D Image | 3-Ethyl-6-[(4'-methoxy-4-biphenylyl)methyl]-1-(2,4,6-trichlorophenyl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | C27H21Cl3N4O2

3-Ethyl-6-[(4'-methoxy-4-biphenylyl)methyl]-1-(2,4,6-trichlorophenyl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

  • Molecular FormulaC27H21Cl3N4O2
  • Average mass539.840 Da
  • Monoisotopic mass538.072998 Da
  • ChemSpider ID8112740

More details:

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

3-Ethyl-6-[(4'-methoxy-4-biphenylyl)methyl]-1-(2,4,6-trichlorophenyl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [ACD/IUPAC Name]
3-Éthyl-6-[(4'-méthoxy-4-biphénylyl)méthyl]-1-(2,4,6-trichlorophényl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
3-Ethyl-6-[(4'-methoxy-4-biphenylyl)methyl]-1-(2,4,6-trichlorphenyl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
4H-Pyrazolo[3,4-d]pyrimidin-4-one, 3-ethyl-1,2-dihydro-6-[(4'-methoxy[1,1'-biphenyl]-4-yl)methyl]-1-(2,4,6-trichlorophenyl)- [ACD/Index 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: 676.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 363.0±34.3 °C
Index of Refraction: 1.679
Molar Refractivity: 143.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 39176.33
ACD/KOC (pH 5.5): 67251.07
ACD/LogD (pH 7.4): 6.35
ACD/BCF (pH 7.4): 39671.64
ACD/KOC (pH 7.4): 68101.34
Polar Surface Area: 66 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 379.0±7.0 cm3

Click to predict properties on the Chemicalize site


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