ChemSpider 2D Image | 3-Bromo-N-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-O-methyl-L-tyrosinamide | C23H30Br3N3O3

3-Bromo-N-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-O-methyl-L-tyrosinamide

  • Molecular FormulaC23H30Br3N3O3
  • Average mass636.215 Da
  • Monoisotopic mass632.983704 Da
  • ChemSpider ID8659624
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

3-Brom-N-(2-{3,5-dibrom-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-O-methyl-L-tyrosinamid [German] [ACD/IUPAC Name]
3-Bromo-N-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-O-methyl-L-tyrosinamide [ACD/IUPAC Name]
3-Bromo-N-(2-{3,5-dibromo-4-[3-(diméthylamino)propoxy]phényl}éthyl)-O-méthyl-L-tyrosinamide [French] [ACD/IUPAC Name]
Benzenepropanamide, α-amino-3-bromo-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-4-methoxy-, (αS)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL464660/
suberedamine A

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

Density: 1.5±0.1 g/cm3
Boiling Point: 708.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.3±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 140.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 12.48
ACD/KOC (pH 7.4): 59.22
Polar Surface Area: 77 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 47.9±3.0 dyne/cm
Molar Volume: 412.3±3.0 cm3

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