ChemSpider 2D Image | filibuvir | C29H37N5O3

filibuvir

  • Molecular FormulaC29H37N5O3
  • Average mass503.636 Da
  • Monoisotopic mass503.289642 Da
  • ChemSpider ID23333839
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(6R)-6-Cyclopentyl-6-[2-(2,6-diethyl-4-pyridinyl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-on [German] [ACD/IUPAC Name]
(6R)-6-Cyclopentyl-6-[2-(2,6-diethyl-4-pyridinyl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one [ACD/IUPAC Name]
(6R)-6-Cyclopentyl-6-[2-(2,6-diéthyl-4-pyridinyl)éthyl]-3-[(5,7-diméthyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)méthyl]-4-hydroxy-5,6-dihydro-2H-pyran-2-one [French] [ACD/IUPAC Name]
(R)-6-cyclopentyl-6-(2-(2,6-diethylpyridin-4-yl)ethyl)-3-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl)-4-hydroxy-5,6-dihydro-2H-pyran-2-one
198J479Y2L
2H-Pyran-2-one, 6-cyclopentyl-6-[2-(2,6-diethyl-4-pyridinyl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-5,6-dihydro-4-hydroxy-, (6R)- [ACD/Index Name]
877130-28-4 [RN]
filibuvir [French] [INN]
filibuvir [Spanish] [INN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9146 [DBID]
PF-00868554 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.654
Molar Refractivity: 142.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 9.56
ACD/KOC (pH 5.5): 38.91
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 4.11
ACD/KOC (pH 7.4): 16.73
Polar Surface Area: 103 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 388.8±7.0 cm3

Click to predict properties on the Chemicalize site






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