ChemSpider 2D Image | aplysamine-2 | C23H28Br3N3O4

aplysamine-2

  • Molecular FormulaC23H28Br3N3O4
  • Average mass650.198 Da
  • Monoisotopic mass646.962952 Da
  • ChemSpider ID4919384
  • Double-bond stereo - Double-bond stereo


More details:






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

(2Z)-3-(3-Brom-4-methoxyphenyl)-N-(2-{3,5-dibrom-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-2-(hydroxyimino)propanamid [German] [ACD/IUPAC Name]
(2Z)-3-(3-Bromo-4-methoxyphenyl)-N-(2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}ethyl)-2-(hydroxyimino)propanamide [ACD/IUPAC Name]
(2Z)-3-(3-Bromo-4-méthoxyphényl)-N-(2-{3,5-dibromo-4-[3-(diméthylamino)propoxy]phényl}éthyl)-2-(hydroxyimino)propanamide [French] [ACD/IUPAC Name]
aplysamine 2
aplysamine-2 [Wiki]
Benzenepropanamide, 3-bromo-N-[2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]ethyl]-α-(hydroxyimino)-4-methoxy-, (αZ)- [ACD/Index Name]
3-(3-Bromo-4-methoxyphenyl)-N-(2-(3,5-dibromo-4-(3-(dimethylamino)propoxy)phenyl)ethyl)-2-(hydroxyimino)propanamide

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

AIDS132146 [DBID]
AIDS-132146 [DBID]
NSC625526 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.602
Molar Refractivity: 140.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.74
ACD/LogD (pH 5.5): 1.86
ACD/BCF (pH 5.5): 2.88
ACD/KOC (pH 5.5): 10.34
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 41.44
ACD/KOC (pH 7.4): 148.81
Polar Surface Area: 83 Å2
Polarizability: 55.5±0.5 10-24cm3
Surface Tension: 46.1±7.0 dyne/cm
Molar Volume: 408.3±7.0 cm3

Click to predict properties on the Chemicalize site





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