ChemSpider 2D Image | N-(2-{4-[6-(2-Chlorophenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-fluoro-N-propylbenzamide | C27H29ClFN5O2

N-(2-{4-[6-(2-Chlorophenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-fluoro-N-propylbenzamide

  • Molecular FormulaC27H29ClFN5O2
  • Average mass510.003 Da
  • Monoisotopic mass509.199371 Da
  • ChemSpider ID22654482

More details:






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

Benzamide, N-[2-[4-[6-(2-chlorophenyl)-3-pyridazinyl]hexahydro-1H-1,4-diazepin-1-yl]-2-oxoethyl]-3-fluoro-N-propyl- [ACD/Index Name]
N-(2-{4-[6-(2-Chlorophenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-fluoro-N-propylbenzamide [ACD/IUPAC Name]
N-(2-{4-[6-(2-Chlorophényl)-3-pyridazinyl]-1,4-diazépan-1-yl}-2-oxoéthyl)-3-fluoro-N-propylbenzamide [French] [ACD/IUPAC Name]
N-(2-{4-[6-(2-Chlorphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-3-fluor-N-propylbenzamid [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: 746.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 405.1±32.9 °C
Index of Refraction: 1.595
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: 3.40
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 274.34
ACD/KOC (pH 5.5): 1764.61
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 378.36
ACD/KOC (pH 7.4): 2433.74
Polar Surface Area: 70 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 402.3±3.0 cm3

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