ChemSpider 2D Image | 2-Methyl-N-{2-oxo-2-[4-(6-phenyl-3-pyridazinyl)-1,4-diazepan-1-yl]ethyl}-N-(1-phenylethyl)benzamide | C33H35N5O2

2-Methyl-N-{2-oxo-2-[4-(6-phenyl-3-pyridazinyl)-1,4-diazepan-1-yl]ethyl}-N-(1-phenylethyl)benzamide

  • Molecular FormulaC33H35N5O2
  • Average mass533.663 Da
  • Monoisotopic mass533.279053 Da
  • ChemSpider ID22678068

More details:

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

2-Methyl-N-{2-oxo-2-[4-(6-phenyl-3-pyridazinyl)-1,4-diazepan-1-yl]ethyl}-N-(1-phenylethyl)benzamid [German] [ACD/IUPAC Name]
2-Methyl-N-{2-oxo-2-[4-(6-phenyl-3-pyridazinyl)-1,4-diazepan-1-yl]ethyl}-N-(1-phenylethyl)benzamide [ACD/IUPAC Name]
2-Méthyl-N-{2-oxo-2-[4-(6-phényl-3-pyridazinyl)-1,4-diazépan-1-yl]éthyl}-N-(1-phényléthyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, N-[2-[hexahydro-4-(6-phenyl-3-pyridazinyl)-1H-1,4-diazepin-1-yl]-2-oxoethyl]-2-methyl-N-(1-phenylethyl)- [ACD/Index 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: 804.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.0±3.0 kJ/mol
Flash Point: 440.4±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 156.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 4.49
ACD/BCF (pH 5.5): 1268.98
ACD/KOC (pH 5.5): 4645.38
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2722.21
ACD/KOC (pH 7.4): 9965.30
Polar Surface Area: 70 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 447.4±3.0 cm3

Click to predict properties on the Chemicalize site


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