ChemSpider 2D Image | (2E)-3-(3-Bromo-4-methoxyphenyl)-N-[(2S)-2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}-2-hydroxyethyl]-2-(hydroxyimino)propanamide | C23H28Br3N3O5

(2E)-3-(3-Bromo-4-methoxyphenyl)-N-[(2S)-2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}-2-hydroxyethyl]-2-(hydroxyimino)propanamide

  • Molecular FormulaC23H28Br3N3O5
  • Average mass666.198 Da
  • Monoisotopic mass662.957886 Da
  • ChemSpider ID29215694

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-3-(3-Brom-4-methoxyphenyl)-N-[(2S)-2-{3,5-dibrom-4-[3-(dimethylamino)propoxy]phenyl}-2-hydroxyethyl]-2-(hydroxyimino)propanamid [German] [ACD/IUPAC Name]
(2E)-3-(3-Bromo-4-methoxyphenyl)-N-[(2S)-2-{3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl}-2-hydroxyethyl]-2-(hydroxyimino)propanamide [ACD/IUPAC Name]
(2E)-3-(3-Bromo-4-méthoxyphényl)-N-[(2S)-2-{3,5-dibromo-4-[3-(diméthylamino)propoxy]phényl}-2-hydroxyéthyl]-2-(hydroxyimino)propanamide [French] [ACD/IUPAC Name]
Benzenepropanamide, 3-bromo-N-[(2S)-2-[3,5-dibromo-4-[3-(dimethylamino)propoxy]phenyl]-2-hydroxyethyl]-α-(hydroxyimino)-4-methoxy-, (αE)- [ACD/Index Name]
aplysamine 7

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.612
Molar Refractivity: 141.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.18
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 8.03
ACD/KOC (pH 7.4): 46.18
Polar Surface Area: 104 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 48.4±7.0 dyne/cm
Molar Volume: 405.5±7.0 cm3

Click to predict properties on the Chemicalize site


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