ChemSpider 2D Image | N-[(2S)-7-Bromo-1,2,3,4-tetrahydro-2-naphthalenyl]-2-(1,1-difluoroethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | C18H18BrF2N5

N-[(2S)-7-Bromo-1,2,3,4-tetrahydro-2-naphthalenyl]-2-(1,1-difluoroethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

  • Molecular FormulaC18H18BrF2N5
  • Average mass422.270 Da
  • Monoisotopic mass421.071350 Da
  • ChemSpider ID59052945

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[1,2,4]Triazolo[1,5-a]pyrimidin-7-amine, N-[(2S)-7-bromo-1,2,3,4-tetrahydro-2-naphthalenyl]-2-(1,1-difluoroethyl)-5-methyl- [ACD/Index Name]
N-[(2S)-7-Brom-1,2,3,4-tetrahydro-2-naphthalinyl]-2-(1,1-difluorethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amin [German] [ACD/IUPAC Name]
N-[(2S)-7-Bromo-1,2,3,4-tétrahydro-2-naphtalényl]-2-(1,1-difluoroéthyl)-5-méthyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine [French] [ACD/IUPAC Name]
N-[(2S)-7-Bromo-1,2,3,4-tetrahydro-2-naphthalenyl]-2-(1,1-difluoroethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 98.9±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1431.49
ACD/KOC (pH 5.5): 6315.23
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1432.90
ACD/KOC (pH 7.4): 6321.45
Polar Surface Area: 55 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 259.9±7.0 cm3

Click to predict properties on the Chemicalize site


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