ChemSpider 2D Image | 4-{trans-4-[(1-Hydroxycyclobutyl)methoxy]cyclohexyl}-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-{trans-4-[(1-Hydroxycyclobutyl)methoxy]cyclohexyl}-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 ID34958124

  • defined stereocentres - 2 of 2 defined stereocentres

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-[trans-4-[(1-hydroxycyclobutyl)methoxy]cyclohexyl]-7-propyl- [ACD/Index Name]
4-{trans-4-[(1-Hydroxycyclobutyl)methoxy]cyclohexyl}-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-{trans-4-[(1-Hydroxycyclobutyl)methoxy]cyclohexyl}-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-{trans-4-[(1-Hydroxycyclobutyl)méthoxy]cyclohexyl}-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, 419

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

Density: 1.4±0.1 g/cm3
Boiling Point: 817.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 448.3±37.1 °C
Index of Refraction: 1.708
Molar Refractivity: 167.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 137.59
ACD/KOC (pH 5.5): 944.57
ACD/LogD (pH 7.4): 3.56
ACD/BCF (pH 7.4): 297.83
ACD/KOC (pH 7.4): 2044.60
Polar Surface Area: 131 Å2
Polarizability: 66.3±0.5 10-24cm3
Surface Tension: 60.0±7.0 dyne/cm
Molar Volume: 428.9±7.0 cm3

Click to predict properties on the Chemicalize site


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