ChemSpider 2D Image | N-Benzyl-N-(2-{4-[6-(2-chlorophenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)cyclobutanecarboxamide | C29H32ClN5O2

N-Benzyl-N-(2-{4-[6-(2-chlorophenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)cyclobutanecarboxamide

  • Molecular FormulaC29H32ClN5O2
  • Average mass518.050 Da
  • Monoisotopic mass517.224426 Da
  • ChemSpider ID22654461

More details:

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

Cyclobutanecarboxamide, N-[2-[4-[6-(2-chlorophenyl)-3-pyridazinyl]hexahydro-1H-1,4-diazepin-1-yl]-2-oxoethyl]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-N-(2-{4-[6-(2-chlorophenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)cyclobutanecarboxamide [ACD/IUPAC Name]
N-Benzyl-N-(2-{4-[6-(2-chlorophényl)-3-pyridazinyl]-1,4-diazépan-1-yl}-2-oxoéthyl)cyclobutanecarboxamide [French] [ACD/IUPAC Name]
N-Benzyl-N-(2-{4-[6-(2-chlorphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)cyclobutancarboxamid [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: 776.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.0±3.0 kJ/mol
Flash Point: 423.4±32.9 °C
Index of Refraction: 1.622
Molar Refractivity: 143.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 837.65
ACD/KOC (pH 5.5): 3918.63
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1160.01
ACD/KOC (pH 7.4): 5426.67
Polar Surface Area: 70 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 58.7±3.0 dyne/cm
Molar Volume: 407.1±3.0 cm3

Click to predict properties on the Chemicalize site


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