ChemSpider 2D Image | N-(6-Butyl-5-methyl-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-(4-fluorobenzyl)benzamide | C24H23F2N5O2

N-(6-Butyl-5-methyl-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-(4-fluorobenzyl)benzamide

  • Molecular FormulaC24H23F2N5O2
  • Average mass451.469 Da
  • Monoisotopic mass451.181976 Da
  • ChemSpider ID29019924

More details:

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

Benzamide, N-(6-butyl-4,7-dihydro-5-methyl-7-oxo[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-[(4-fluorophenyl)methyl]- [ACD/Index Name]
N-(6-Butyl-5-methyl-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluor-N-(4-fluorbenzyl)benzamid [German] [ACD/IUPAC Name]
N-(6-Butyl-5-methyl-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-(4-fluorobenzyl)benzamide [ACD/IUPAC Name]
N-(6-Butyl-5-méthyl-7-oxo-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-fluoro-N-(4-fluorobenzyl)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 661.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.7±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 121.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2060.32
ACD/KOC (pH 5.5): 8198.06
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2060.33
ACD/KOC (pH 7.4): 8198.08
Polar Surface Area: 80 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 338.9±7.0 cm3

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