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Search term: YMTYWNFILCLPEE (Found by InChIKey (skeleton match))

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

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

  • Molecular FormulaC27H29ClFN5O2
  • Average mass510.003 Da
  • Monoisotopic mass509.199371 Da
  • ChemSpider ID22678394

More details:






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

Benzamide, N-butyl-N-[2-[4-[6-(2-chlorophenyl)-3-pyridazinyl]-1-piperazinyl]-2-oxoethyl]-3-fluoro- [ACD/Index Name]
N-Butyl-N-(2-{4-[6-(2-chlorophenyl)-3-pyridazinyl]-1-piperazinyl}-2-oxoethyl)-3-fluorobenzamide [ACD/IUPAC Name]
N-Butyl-N-(2-{4-[6-(2-chlorophényl)-3-pyridazinyl]-1-pipérazinyl}-2-oxoéthyl)-3-fluorobenzamide [French] [ACD/IUPAC Name]
N-Butyl-N-(2-{4-[6-(2-chlorphenyl)-3-pyridazinyl]-1-piperazinyl}-2-oxoethyl)-3-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: 744.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 404.1±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: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 380.27
ACD/KOC (pH 5.5): 2263.81
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 497.26
ACD/KOC (pH 7.4): 2960.29
Polar Surface Area: 70 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 401.1±3.0 cm3

Click to predict properties on the Chemicalize site






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