ChemSpider 2D Image | 4-Bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide | C17H17BrN2O

4-Bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide

  • Molecular FormulaC17H17BrN2O
  • Average mass345.234 Da
  • Monoisotopic mass344.052429 Da
  • ChemSpider ID35034124

More details:

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

4-Brom-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamid [German] [ACD/IUPAC Name]
4-Bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide [ACD/IUPAC Name]
4-Bromo-N-(2,3,4,5-tétrahydro-1H-3-benzazépin-7-yl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3355057/
NF5

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 414.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.7±3.0 kJ/mol
Flash Point: 204.2±28.7 °C
Index of Refraction: 1.643
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.38
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.02
Polar Surface Area: 41 Å2
Polarizability: 35.1±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 245.1±3.0 cm3

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