ChemSpider 2D Image | 4-(2,2-Dimethyl-3-oxo-1,4-dioxaspiro[4.5]dec-8-yl)-6-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-4-biphenylyl]methyl}-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one | C33H34N6O6

4-(2,2-Dimethyl-3-oxo-1,4-dioxaspiro[4.5]dec-8-yl)-6-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-4-biphenylyl]methyl}-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one

  • Molecular FormulaC33H34N6O6
  • Average mass610.660 Da
  • Monoisotopic mass610.253967 Da
  • ChemSpider ID34958111

More details:






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

[1,2,4]Triazolo[1,5-a]pyrimidin-5(4H)-one, 6-[[2'-(2,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl]-4-(2,2-dimethyl-3-oxo-1,4-dioxaspiro[4.5]dec-8-yl)-7-propyl- [ACD/Index Name]
4-(2,2-Dimethyl-3-oxo-1,4-dioxaspiro[4.5]dec-8-yl)-6-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-4-biphenylyl]methyl}-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-on [German] [ACD/IUPAC Name]
4-(2,2-Dimethyl-3-oxo-1,4-dioxaspiro[4.5]dec-8-yl)-6-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-4-biphenylyl]methyl}-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one [ACD/IUPAC Name]
4-(2,2-Diméthyl-3-oxo-1,4-dioxaspiro[4.5]déc-8-yl)-6-{[2'-(5-oxo-2,5-dihydro-1,2,4-oxadiazol-3-yl)-4-biphénylyl]méthyl}-7-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one [French] [ACD/IUPAC Name]
US8592431, 371

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

Density: 1.4±0.1 g/cm3
Boiling Point: 824.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 452.2±37.1 °C
Index of Refraction: 1.704
Molar Refractivity: 164.2±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 69.40
ACD/KOC (pH 5.5): 578.78
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 150.17
ACD/KOC (pH 7.4): 1252.39
Polar Surface Area: 137 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 59.4±7.0 dyne/cm
Molar Volume: 422.9±7.0 cm3

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