ChemSpider 2D Image | N-sec-Butyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methylbenzamide | C31H39N5O4

N-sec-Butyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methylbenzamide

  • Molecular FormulaC31H39N5O4
  • Average mass545.672 Da
  • Monoisotopic mass545.300232 Da
  • ChemSpider ID22677855

More details:

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

Benzamide, N-[2-[4-[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]hexahydro-1H-1,4-diazepin-1-yl]-2-oxoethyl]-2-methyl-N-(1-methylpropyl)- [ACD/Index Name]
N-sec-Butyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methylbenzamid [German] [ACD/IUPAC Name]
N-sec-Butyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-2-methylbenzamide [ACD/IUPAC Name]
N-sec-Butyl-N-(2-{4-[6-(3,4-diméthoxyphényl)-3-pyridazinyl]-1,4-diazépan-1-yl}-2-oxoéthyl)-2-méthylbenzamide [French] [ACD/IUPAC 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: 775.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.9±3.0 kJ/mol
Flash Point: 423.0±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 154.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 145.35
ACD/KOC (pH 5.5): 1007.94
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 288.15
ACD/KOC (pH 7.4): 1998.22
Polar Surface Area: 88 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 467.3±3.0 cm3

Click to predict properties on the Chemicalize site


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