ChemSpider 2D Image | N-(2-{4-[6-(2-Chlorophenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methyl-N-propylpropanamide | C24H32ClN5O2

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

  • Molecular FormulaC24H32ClN5O2
  • Average mass457.996 Da
  • Monoisotopic mass457.224457 Da
  • ChemSpider ID22654066

More details:






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

N-(2-{4-[6-(2-Chlorophenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methyl-N-propylpropanamide [ACD/IUPAC Name]
N-(2-{4-[6-(2-Chlorophényl)-3-pyridazinyl]-1,4-diazépan-1-yl}-2-oxoéthyl)-2-méthyl-N-propylpropanamide [French] [ACD/IUPAC Name]
N-(2-{4-[6-(2-Chlorphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methyl-N-propylpropanamid [German] [ACD/IUPAC Name]
Propanamide, N-[2-[4-[6-(2-chlorophenyl)-3-pyridazinyl]hexahydro-1H-1,4-diazepin-1-yl]-2-oxoethyl]-2-methyl-N-propyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 681.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.9±3.0 kJ/mol
Flash Point: 365.7±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 125.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 83.12
ACD/KOC (pH 5.5): 750.04
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 114.98
ACD/KOC (pH 7.4): 1037.55
Polar Surface Area: 70 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 49.4±3.0 dyne/cm
Molar Volume: 385.7±3.0 cm3

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