ChemSpider 2D Image | N-[1-{4-[5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-piperazinyl}-3-(4-fluorophenyl)-1-oxo-2-propanyl]-1-naphthamide | C33H30ClFN6O2

N-[1-{4-[5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-piperazinyl}-3-(4-fluorophenyl)-1-oxo-2-propanyl]-1-naphthamide

  • Molecular FormulaC33H30ClFN6O2
  • Average mass597.082 Da
  • Monoisotopic mass596.210266 Da
  • ChemSpider ID122205806

More details:

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

1-Naphthalenecarboxamide, N-[2-[4-[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-piperazinyl]-1-[(4-fluorophenyl)methyl]-2-oxoethyl]- [ACD/Index Name]
N-[1-{4-[5-(4-Chlorophényl)-4-méthyl-4H-1,2,4-triazol-3-yl]-1-pipérazinyl}-3-(4-fluorophényl)-1-oxo-2-propanyl]-1-naphtamide [French] [ACD/IUPAC Name]
N-[1-{4-[5-(4-Chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-piperazinyl}-3-(4-fluorophenyl)-1-oxo-2-propanyl]-1-naphthamide [ACD/IUPAC Name]
N-[1-{4-[5-(4-Chlorphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-piperazinyl}-3-(4-fluorphenyl)-1-oxo-2-propanyl]-1-naphthamid [German] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.672
Molar Refractivity: 166.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.64
ACD/LogD (pH 5.5): 5.15
ACD/BCF (pH 5.5): 4344.99
ACD/KOC (pH 5.5): 12410.03
ACD/LogD (pH 7.4): 5.33
ACD/BCF (pH 7.4): 6572.35
ACD/KOC (pH 7.4): 18771.75
Polar Surface Area: 83 Å2
Polarizability: 66.0±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 444.1±7.0 cm3

Click to predict properties on the Chemicalize site


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