Found 26 results

Search term: MF = 'C_{23}H_{22}BrN_{3}'
ChemSpider 2D Image | 7-Bromo-3-phenyl-2-[4-(2-propyn-1-yl)-1-piperazinyl]-5H-1-benzazepine | C23H22BrN3

7-Bromo-3-phenyl-2-[4-(2-propyn-1-yl)-1-piperazinyl]-5H-1-benzazepine

  • Molecular FormulaC23H22BrN3
  • Average mass420.345 Da
  • Monoisotopic mass419.099701 Da
  • ChemSpider ID23115437

More details:

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

5H-1-Benzazepine, 7-bromo-3-phenyl-2-[4-(2-propyn-1-yl)-1-piperazinyl]- [ACD/Index Name]
7-Brom-3-phenyl-2-[4-(2-propin-1-yl)-1-piperazinyl]-5H-1-benzazepin [German] [ACD/IUPAC Name]
7-Bromo-3-phenyl-2-[4-(2-propyn-1-yl)-1-piperazinyl]-5H-1-benzazepine [ACD/IUPAC Name]
7-Bromo-3-phényl-2-[4-(2-propyn-1-yl)-1-pipérazinyl]-5H-1-benzazépine [French] [ACD/IUPAC Name]
7-Bromo-3-phenyl-2-(4-prop-2-ynyl-piperazin-1-yl)-5H-benzo[b]azepine
7-bromo-3-phenyl-2-[4-(prop-2-yn-1-yl)piperazin-1-yl]-5H-1-benzazepine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL273794/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 555.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.7±3.0 kJ/mol
Flash Point: 289.9±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 116.7±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 39.19
ACD/KOC (pH 5.5): 136.34
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 597.40
ACD/KOC (pH 7.4): 2078.53
Polar Surface Area: 19 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 326.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement