ChemSpider 2D Image | N-Benzyl-N-(2-{4-[6-(3-methoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methylpropanamide | C29H35N5O3

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

  • Molecular FormulaC29H35N5O3
  • Average mass501.620 Da
  • Monoisotopic mass501.273987 Da
  • ChemSpider ID22676367

More details:

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

N-Benzyl-N-(2-{4-[6-(3-methoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methylpropanamid [German] [ACD/IUPAC Name]
N-Benzyl-N-(2-{4-[6-(3-methoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methylpropanamide [ACD/IUPAC Name]
N-Benzyl-N-(2-{4-[6-(3-méthoxyphényl)-3-pyridazinyl]-1,4-diazépan-1-yl}-2-oxoéthyl)-2-méthylpropanamide [French] [ACD/IUPAC Name]
Propanamide, N-[2-[hexahydro-4-[6-(3-methoxyphenyl)-3-pyridazinyl]-1H-1,4-diazepin-1-yl]-2-oxoethyl]-2-methyl-N-(phenylmethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 755.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.0±3.0 kJ/mol
Flash Point: 410.5±32.9 °C
Index of Refraction: 1.585
Molar Refractivity: 142.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.00
ACD/BCF (pH 5.5): 94.58
ACD/KOC (pH 5.5): 734.44
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 193.40
ACD/KOC (pH 7.4): 1501.71
Polar Surface Area: 79 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 425.5±3.0 cm3

Click to predict properties on the Chemicalize site


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