ChemSpider 2D Image | N-Benzyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide | C33H35N5O4

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

  • Molecular FormulaC33H35N5O4
  • Average mass565.662 Da
  • Monoisotopic mass565.268921 Da
  • ChemSpider ID22677267

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]-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamid [German] [ACD/IUPAC Name]
N-Benzyl-N-(2-{4-[6-(3,4-dimethoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide [ACD/IUPAC Name]
N-Benzyl-N-(2-{4-[6-(3,4-diméthoxyphényl)-3-pyridazinyl]-1,4-diazépan-1-yl}-2-oxoéthyl)benzamide [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: 819.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.1±3.0 kJ/mol
Flash Point: 449.4±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 160.4±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 263.58
ACD/KOC (pH 5.5): 1543.19
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 522.70
ACD/KOC (pH 7.4): 3060.32
Polar Surface Area: 88 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 461.9±3.0 cm3

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