ChemSpider 2D Image | N-{8-[2-Isobutoxy-5-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-yl}-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine | C27H28F3N5O

N-{8-[2-Isobutoxy-5-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-yl}-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine

  • Molecular FormulaC27H28F3N5O
  • Average mass495.539 Da
  • Monoisotopic mass495.224609 Da
  • ChemSpider ID34952183

More details:

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

1H-3-Benzazepin-7-amine, 2,3,4,5-tetrahydro-N-[8-[2-(2-methylpropoxy)-5-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-yl]- [ACD/Index Name]
N-{8-[2-Isobutoxy-5-(trifluormethyl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-yl}-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amin [German] [ACD/IUPAC Name]
N-{8-[2-Isobutoxy-5-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyridin-2-yl}-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine [ACD/IUPAC Name]
N-{8-[2-Isobutoxy-5-(trifluorométhyl)phényl][1,2,4]triazolo[1,5-a]pyridin-2-yl}-2,3,4,5-tétrahydro-1H-3-benzazépin-7-amine [French] [ACD/IUPAC Name]
US8501936, 379

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: 1.624
Molar Refractivity: 131.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 15.41
ACD/KOC (pH 5.5): 32.55
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 56.39
ACD/KOC (pH 7.4): 119.16
Polar Surface Area: 63 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 372.6±7.0 cm3

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