ChemSpider 2D Image | N-(2-{4-[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methoxy-N-(2-phenylethyl)benzamide | C35H39N5O5

N-(2-{4-[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methoxy-N-(2-phenylethyl)benzamide

  • Molecular FormulaC35H39N5O5
  • Average mass609.715 Da
  • Monoisotopic mass609.295105 Da
  • ChemSpider ID22677244

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-(2-phenylethyl)- [ACD/Index Name]
N-(2-{4-[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methoxy-N-(2-phenylethyl)benzamid [German] [ACD/IUPAC Name]
N-(2-{4-[6-(3,4-Dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)-4-methoxy-N-(2-phenylethyl)benzamide [ACD/IUPAC Name]
N-(2-{4-[6-(3,4-Diméthoxyphényl)-3-pyridazinyl]-1,4-diazépan-1-yl}-2-oxoéthyl)-4-méthoxy-N-(2-phényléthyl)benzamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 855.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 471.4±34.3 °C
Index of Refraction: 1.599
Molar Refractivity: 171.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 598.87
ACD/KOC (pH 5.5): 2776.40
ACD/LogD (pH 7.4): 4.35
ACD/BCF (pH 7.4): 1188.23
ACD/KOC (pH 7.4): 5508.70
Polar Surface Area: 97 Å2
Polarizability: 68.1±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 502.4±3.0 cm3

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