ChemSpider 2D Image | TAK-285 | C26H25ClF3N5O3

TAK-285

  • Molecular FormulaC26H25ClF3N5O3
  • Average mass547.957 Da
  • Monoisotopic mass547.159790 Da
  • ChemSpider ID9795656

More details:






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

70CCB438L6
871026-44-7 [RN]
Butanamide, N-[2-[4-[[3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]amino]-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl]-3-hydroxy-3-methyl- [ACD/Index Name]
N-{2-[4-({3-Chlor-4-[3-(trifluormethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamid [German] [ACD/IUPAC Name]
N-{2-[4-({3-Chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide [ACD/IUPAC Name]
N-{2-[4-({3-Chloro-4-[3-(trifluorométhyl)phénoxy]phényl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]éthyl}-3-hydroxy-3-méthylbutanamide [French] [ACD/IUPAC Name]
TAK-285
[871026-44-7]
03P
5-Ethyl-1,3,4-oxadiazol-2-ol [ACD/IUPAC Name]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 705.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 380.4±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 136.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 10.63
ACD/KOC (pH 5.5): 49.65
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 379.02
ACD/KOC (pH 7.4): 1771.11
Polar Surface Area: 101 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 394.1±7.0 cm3

Click to predict properties on the Chemicalize site






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