ChemSpider 2D Image | N-(2-{4-[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-isopropyl-4-methoxybenzamide | C30H37N5O5

N-(2-{4-[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-isopropyl-4-methoxybenzamide

  • Molecular FormulaC30H37N5O5
  • Average mass547.645 Da
  • Monoisotopic mass547.279480 Da
  • ChemSpider ID22677852

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]-4-methoxy-N-(1-methylethyl)- [ACD/Index Name]
N-(2-{4-[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-isopropyl-4-methoxybenzamid [German] [ACD/IUPAC Name]
N-(2-{4-[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-N-isopropyl-4-methoxybenzamide [ACD/IUPAC Name]
N-(2-{4-[6-(3,4-Diméthoxyphényl)-3-pyridazinyl]-1,4-diazépan-1-yl}-2-oxoéthyl)-N-isopropyl-4-méthoxybenzamide [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: 787.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.5±3.0 kJ/mol
Flash Point: 429.8±32.9 °C
Index of Refraction: 1.576
Molar Refractivity: 151.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.50
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 40.30
ACD/KOC (pH 5.5): 402.30
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 79.94
ACD/KOC (pH 7.4): 798.10
Polar Surface Area: 97 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 458.6±3.0 cm3

Click to predict properties on the Chemicalize site


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