ChemSpider 2D Image | Pf-114 | C29H27F3N6O

Pf-114

  • Molecular FormulaC29H27F3N6O
  • Average mass532.560 Da
  • Monoisotopic mass532.219849 Da
  • ChemSpider ID68007089

More details:

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

4-Methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluormethyl)phenyl}-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylethinyl)benzamid [German] [ACD/IUPAC Name]
4-Methyl-N-{4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylethynyl)benzamide [ACD/IUPAC Name]
4-Méthyl-N-{4-[(4-méthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}-3-([1,2,4]triazolo[4,3-a]pyridin-3-yléthynyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-methyl-N-[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-(1,2,4-triazolo[4,3-a]pyridin-3-yl)ethynyl]- [ACD/Index Name]
Pf-114
1416241-23-0 [RN]
I8C3R768IZ

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: 1.622
Molar Refractivity: 145.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 2.00
ACD/BCF (pH 5.5): 6.31
ACD/KOC (pH 5.5): 33.95
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 280.47
ACD/KOC (pH 7.4): 1509.34
Polar Surface Area: 66 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 45.0±7.0 dyne/cm
Molar Volume: 412.2±7.0 cm3

Click to predict properties on the Chemicalize site


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