ChemSpider 2D Image | Anacetrapib | C30H25F10NO3

Anacetrapib

  • Molecular FormulaC30H25F10NO3
  • Average mass637.508 Da
  • Monoisotopic mass637.167480 Da
  • ChemSpider ID9731205
  • defined stereocentres - 2 of 2 defined stereocentres


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

(4S,5R)-5-[3,5-Bis(trifluormethyl)phenyl]-3-{[4'-fluor-5'-isopropyl-2'-methoxy-4-(trifluormethyl)-2-biphenylyl]methyl}-4-methyl-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-3-{[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)-2-biphenylyl]methyl}-4-methyl-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S,5R)-5-[3,5-Bis(trifluorométhyl)phényl]-3-{[4'-fluoro-5'-isopropyl-2'-méthoxy-4-(trifluorométhyl)-2-biphénylyl]méthyl}-4-méthyl-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 5-[3,5-bis(trifluoromethyl)phenyl]-3-[[4'-fluoro-2'-methoxy-5'-(1-methylethyl)-4-(trifluoromethyl)[1,1'-biphenyl]-2-yl]methyl]-4-methyl-, (4S,5R)- [ACD/Index Name]
875446-37-0 [RN]
anacetrapib [Spanish] [INN]
Anacetrapib [INN]
anacétrapib [French] [INN]
anacetrapibum [Latin] [INN]
(4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-3-((4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)-[1,1'-biphenyl]-2-yl)methyl)-4-methyloxazolidin-2-one
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 555.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.6±30.1 °C
Index of Refraction: 1.494
Molar Refractivity: 137.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.81
ACD/LogD (pH 5.5): 8.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 829758.13
ACD/LogD (pH 7.4): 8.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 829758.13
Polar Surface Area: 39 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 473.9±3.0 cm3

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