Found 195 results

Search term: MF = 'C_{20}H_{17}F_{3}N_{6}O_{2}'
ChemSpider 2D Image | 6-{2-[2,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]-2-oxoethyl}-3-phenyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one | C20H17F3N6O2

6-{2-[2,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]-2-oxoethyl}-3-phenyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

  • Molecular FormulaC20H17F3N6O2
  • Average mass430.383 Da
  • Monoisotopic mass430.136505 Da
  • ChemSpider ID30198541

More details:

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

6-{2-[2,5-Dimethyl-1-(2,2,2-trifluorethyl)-1H-pyrrol-3-yl]-2-oxoethyl}-3-phenyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-on [German] [ACD/IUPAC Name]
6-{2-[2,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]-2-oxoethyl}-3-phenyl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [ACD/IUPAC Name]
6-{2-[2,5-Diméthyl-1-(2,2,2-trifluoroéthyl)-1H-pyrrol-3-yl]-2-oxoéthyl}-3-phényl-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one [French] [ACD/IUPAC Name]
7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one, 6-[2-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]-2-oxoethyl]-3,6-dihydro-3-phenyl- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 623.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 330.6±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 107.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.72
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 41.53
ACD/KOC (pH 5.5): 501.26
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 41.53
ACD/KOC (pH 7.4): 501.26
Polar Surface Area: 85 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 293.6±7.0 cm3

Click to predict properties on the Chemicalize site


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