ChemSpider 2D Image | 7-Butyl-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-6-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-4-biphenylyl]methyl}pyrazolo[1,5-a]pyrimidin-5(4H)-one | C35H41N5O5

7-Butyl-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-6-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-4-biphenylyl]methyl}pyrazolo[1,5-a]pyrimidin-5(4H)-one

  • Molecular FormulaC35H41N5O5
  • Average mass611.731 Da
  • Monoisotopic mass611.310791 Da
  • ChemSpider ID34958153
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

7-Butyl-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-6-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-4-biphenylyl]methyl}pyrazolo[1,5-a]pyrimidin-5(4H)-on [German] [ACD/IUPAC Name]
7-Butyl-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]-6-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-4-biphenylyl]methyl}pyrazolo[1,5-a]pyrimidin-5(4H)-one [ACD/IUPAC Name]
7-Butyl-4-[4-(2-hydroxy-2-méthylpropoxy)cyclohexyl]-6-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-4-biphénylyl]méthyl}pyrazolo[1,5-a]pyrimidin-5(4H)-one [French] [ACD/IUPAC Name]
Pyrazolo[1,5-a]pyrimidin-5(4H)-one, 7-butyl-6-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl]-4-[4-(2-hydroxy-2-methylpropoxy)cyclohexyl]- [ACD/Index Name]
US8592431, 514

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 699.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 376.5±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 170.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 610.63
ACD/KOC (pH 5.5): 2739.12
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1330.76
ACD/KOC (pH 7.4): 5969.48
Polar Surface Area: 118 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 467.0±7.0 cm3

Click to predict properties on the Chemicalize site






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