ChemSpider 2D Image | 14-debromoprearaplysillin I | C21H24Br3N3O4

14-debromoprearaplysillin I

  • Molecular FormulaC21H24Br3N3O4
  • Average mass622.145 Da
  • Monoisotopic mass618.931641 Da
  • ChemSpider ID7852691
  • Double-bond stereo - Double-bond stereo


More details:






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

(2E)-N-{3-[4-(2-Aminoethyl)-2-bromophenoxy]propyl}-3-(3,5-dibromo-4-methoxyphenyl)-2-(hydroxyimino)propanamide [ACD/IUPAC Name]
(2E)-N-{3-[4-(2-Aminoéthyl)-2-bromophénoxy]propyl}-3-(3,5-dibromo-4-méthoxyphényl)-2-(hydroxyimino)propanamide [French] [ACD/IUPAC Name]
(2E)-N-{3-[4-(2-Aminoethyl)-2-bromphenoxy]propyl}-3-(3,5-dibrom-4-methoxyphenyl)-2-(hydroxyimino)propanamid [German] [ACD/IUPAC Name]
14-debromoprearaplysillin I
Benzenepropanamide, N-[3-[4-(2-aminoethyl)-2-bromophenoxy]propyl]-3,5-dibromo-α-(hydroxyimino)-4-methoxy-, (αE)- [ACD/Index Name]
136685-30-8 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.628
Molar Refractivity: 129.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.86
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 5.15
ACD/KOC (pH 7.4): 26.06
Polar Surface Area: 106 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 363.9±7.0 cm3

Click to predict properties on the Chemicalize site






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