ChemSpider 2D Image | 4-(3,3-Dimethyl-1,5-dioxaspiro[5.5]undec-9-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 | C34H38N6O5

4-(3,3-Dimethyl-1,5-dioxaspiro[5.5]undec-9-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 FormulaC34H38N6O5
  • Average mass610.703 Da
  • Monoisotopic mass610.290344 Da
  • ChemSpider ID34958067

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-(3,3-dimethyl-1,5-dioxaspiro[5.5]undec-9-yl)-7-propyl- [ACD/Index Name]
4-(3,3-Dimethyl-1,5-dioxaspiro[5.5]undec-9-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-(3,3-Dimethyl-1,5-dioxaspiro[5.5]undec-9-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-(3,3-Diméthyl-1,5-dioxaspiro[5.5]undéc-9-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, 251

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

Density: 1.4±0.1 g/cm3
Boiling Point: 796.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.8±3.0 kJ/mol
Flash Point: 435.6±35.7 °C
Index of Refraction: 1.685
Molar Refractivity: 167.9±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.17
ACD/BCF (pH 5.5): 716.33
ACD/KOC (pH 5.5): 3077.05
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 1550.21
ACD/KOC (pH 7.4): 6659.05
Polar Surface Area: 120 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 441.7±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement