ChemSpider 2D Image | psammaplysene B | C26H33Br4N3O3

psammaplysene B

  • Molecular FormulaC26H33Br4N3O3
  • Average mass755.174 Da
  • Monoisotopic mass750.925537 Da
  • ChemSpider ID9460662

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-N-(3-{2,6-Dibrom-4-[2-(dimethylamino)ethyl]phenoxy}propyl)-3-{3,5-dibrom-4-[3-(methylamino)propoxy]phenyl}acrylamid [German] [ACD/IUPAC Name]
(2E)-N-(3-{2,6-Dibromo-4-[2-(dimethylamino)ethyl]phenoxy}propyl)-3-{3,5-dibromo-4-[3-(methylamino)propoxy]phenyl}acrylamide [ACD/IUPAC Name]
(2E)-N-(3-{2,6-Dibromo-4-[2-(diméthylamino)éthyl]phénoxy}propyl)-3-{3,5-dibromo-4-[3-(méthylamino)propoxy]phényl}acrylamide [French] [ACD/IUPAC Name]
2-Propenamide, N-[3-[2,6-dibromo-4-[2-(dimethylamino)ethyl]phenoxy]propyl]-3-[3,5-dibromo-4-[3-(methylamino)propoxy]phenyl]-, (2E)- [ACD/Index Name]
psammaplysene B
(E)-N-[3-[2,6-dibromo-4-[2-(dimethylamino)ethyl]phenoxy]propyl]-3-[3,5-dibromo-4-[3-(methylamino)propoxy]phenyl]prop-2-enamide
865722-85-6 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL481438/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 768.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 418.8±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 163.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 5.48
ACD/LogD (pH 5.5): 1.92
ACD/BCF (pH 5.5): 1.77
ACD/KOC (pH 5.5): 3.59
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 5.29
Polar Surface Area: 63 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 474.4±3.0 cm3

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