Found 1 result

Search term: QLFREGOMFNYDON-GDNZZTSVSA-N (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-Chloro-7-[(3-exo)-3-methoxy-8-azabicyclo[3.2.1]oct-8-yl]-6-(2,4,6-trifluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidine | C19H17ClF3N5O

5-Chloro-7-[(3-exo)-3-methoxy-8-azabicyclo[3.2.1]oct-8-yl]-6-(2,4,6-trifluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidine

  • Molecular FormulaC19H17ClF3N5O
  • Average mass423.819 Da
  • Monoisotopic mass423.107361 Da
  • ChemSpider ID90637074

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

5-Chlor-7-[(3-exo)-3-methoxy-8-azabicyclo[3.2.1]oct-8-yl]-6-(2,4,6-trifluorphenyl)[1,2,4]triazolo[1,5-a]pyrimidin [German] [ACD/IUPAC Name]
5-Chloro-7-[(3-exo)-3-methoxy-8-azabicyclo[3.2.1]oct-8-yl]-6-(2,4,6-trifluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidine [ACD/IUPAC Name]
5-Chloro-7-[(3-exo)-3-méthoxy-8-azabicyclo[3.2.1]oct-8-yl]-6-(2,4,6-trifluorophényl)[1,2,4]triazolo[1,5-a]pyrimidine [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane, 8-[5-chloro-6-(2,4,6-trifluorophenyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3-methoxy-, (3-exo) [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.712
Molar Refractivity: 99.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 205.52
ACD/KOC (pH 5.5): 1574.51
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 205.54
ACD/KOC (pH 7.4): 1574.63
Polar Surface Area: 56 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 51.3±7.0 dyne/cm
Molar Volume: 255.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement