ChemSpider 2D Image | Odanacatib | C25H27F4N3O3S

Odanacatib

  • Molecular FormulaC25H27F4N3O3S
  • Average mass525.559 Da
  • Monoisotopic mass525.170898 Da
  • ChemSpider ID30922826

More details:

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

N-(1-Cyancyclopropyl)-4-fluor-N2-{2,2,2-trifluor-1-[4'-(methylsulfonyl)-4-biphenylyl]ethyl}leucinamid [German] [ACD/IUPAC Name]
N-(1-Cyanocyclopropyl)-4-fluoro-N2-{2,2,2-trifluoro-1-[4'-(methylsulfonyl)-4-biphenylyl]ethyl}leucinamide [ACD/IUPAC Name]
N-(1-Cyanocyclopropyl)-4-fluoro-N2-{2,2,2-trifluoro-1-[4'-(méthylsulfonyl)-4-biphénylyl]éthyl}leucinamide [French] [ACD/IUPAC Name]
Odanacatib [INN] [Wiki]
Pentanamide, N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[2,2,2-trifluoro-1-[4'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]ethyl]amino]- [ACD/Index Name]
(2S)-N-(1-cyanocyclopropyl)-4-fluoro-4-methyl-2-[[(1S)-2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
603139-19-1 [RN]
D08955
MFCD11042419 [MDL number]
MK-0822
More...

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

Density: 1.4±0.1 g/cm3
Boiling Point: 681.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 366.0±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 126.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 208.38
ACD/KOC (pH 5.5): 1590.15
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 208.37
ACD/KOC (pH 7.4): 1590.11
Polar Surface Area: 107 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 389.0±5.0 cm3

Click to predict properties on the Chemicalize site


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