ChemSpider 2D Image | N-[3-Fluoro-4-(1H-1,2,4-triazol-1-yl)phenyl]-3-nitro-4-{[1-(2-pyridinyl)ethyl]amino}benzamide | C22H18FN7O3

N-[3-Fluoro-4-(1H-1,2,4-triazol-1-yl)phenyl]-3-nitro-4-{[1-(2-pyridinyl)ethyl]amino}benzamide

  • Molecular FormulaC22H18FN7O3
  • Average mass447.422 Da
  • Monoisotopic mass447.145508 Da
  • ChemSpider ID69737029

More details:

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

Benzamide, N-[3-fluoro-4-(1H-1,2,4-triazol-1-yl)phenyl]-3-nitro-4-[[1-(2-pyridinyl)ethyl]amino]- [ACD/Index Name]
N-[3-Fluor-4-(1H-1,2,4-triazol-1-yl)phenyl]-3-nitro-4-{[1-(2-pyridinyl)ethyl]amino}benzamid [German] [ACD/IUPAC Name]
N-[3-Fluoro-4-(1H-1,2,4-triazol-1-yl)phenyl]-3-nitro-4-{[1-(2-pyridinyl)ethyl]amino}benzamide [ACD/IUPAC Name]
N-[3-Fluoro-4-(1H-1,2,4-triazol-1-yl)phényl]-3-nitro-4-{[1-(2-pyridinyl)éthyl]amino}benzamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 119.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 171.63
ACD/KOC (pH 5.5): 1328.03
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.05
ACD/KOC (pH 7.4): 1532.40
Polar Surface Area: 131 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 311.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement