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

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

  • Molecular FormulaC33H35N5O4
  • Average mass565.662 Da
  • Monoisotopic mass565.268921 Da
  • ChemSpider ID22676368

More details:

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

Benzamide, N-[2-[hexahydro-4-[6-(3-methoxyphenyl)-3-pyridazinyl]-1H-1,4-diazepin-1-yl]-2-oxoethyl]-3-methoxy-N-(phenylmethyl)- [ACD/Index Name]
N-Benzyl-3-methoxy-N-(2-{4-[6-(3-methoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamid [German] [ACD/IUPAC Name]
N-Benzyl-3-methoxy-N-(2-{4-[6-(3-methoxyphenyl)-3-pyridazinyl]-1,4-diazepan-1-yl}-2-oxoethyl)benzamide [ACD/IUPAC Name]
N-Benzyl-3-méthoxy-N-(2-{4-[6-(3-méthoxyphényl)-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: 840.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 462.0±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: 3.88
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 427.47
ACD/KOC (pH 5.5): 2162.50
ACD/LogD (pH 7.4): 4.17
ACD/BCF (pH 7.4): 873.40
ACD/KOC (pH 7.4): 4418.38
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

Click to predict properties on the Chemicalize site


Advertisement