ChemSpider 2D Image | N-sec-Butyl-N-(2-{4-[6-(2-chlorophenyl)-3-pyridazinyl]-1-piperazinyl}-2-oxoethyl)-2-fluorobenzamide | C27H29ClFN5O2

N-sec-Butyl-N-(2-{4-[6-(2-chlorophenyl)-3-pyridazinyl]-1-piperazinyl}-2-oxoethyl)-2-fluorobenzamide

  • Molecular FormulaC27H29ClFN5O2
  • Average mass510.003 Da
  • Monoisotopic mass509.199371 Da
  • ChemSpider ID22677984

More details:






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

Benzamide, N-[2-[4-[6-(2-chlorophenyl)-3-pyridazinyl]-1-piperazinyl]-2-oxoethyl]-2-fluoro-N-(1-methylpropyl)- [ACD/Index Name]
N-sec-Butyl-N-(2-{4-[6-(2-chlorophenyl)-3-pyridazinyl]-1-piperazinyl}-2-oxoethyl)-2-fluorobenzamide [ACD/IUPAC Name]
N-sec-Butyl-N-(2-{4-[6-(2-chlorophényl)-3-pyridazinyl]-1-pipérazinyl}-2-oxoéthyl)-2-fluorobenzamide [French] [ACD/IUPAC Name]
N-sec-Butyl-N-(2-{4-[6-(2-chlorphenyl)-3-pyridazinyl]-1-piperazinyl}-2-oxoethyl)-2-fluorbenzamid [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: 739.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.7±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 136.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.67
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 196.23
ACD/KOC (pH 5.5): 1407.78
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 257.90
ACD/KOC (pH 7.4): 1850.26
Polar Surface Area: 70 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 53.1±3.0 dyne/cm
Molar Volume: 401.5±3.0 cm3

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