ChemSpider 2D Image | 1-(3-{4-[(2Z)-3-({2-[4-(3-Aminopropoxy)-3,5-dibromophenyl]ethyl}amino)-2-(hydroxyimino)-3-oxopropyl]-2,6-dibromophenoxy}propyl)pyridinium | C28H31Br4N4O4

1-(3-{4-[(2Z)-3-({2-[4-(3-Aminopropoxy)-3,5-dibromophenyl]ethyl}amino)-2-(hydroxyimino)-3-oxopropyl]-2,6-dibromophenoxy}propyl)pyridinium

  • Molecular FormulaC28H31Br4N4O4
  • Average mass807.186 Da
  • Monoisotopic mass802.907288 Da
  • ChemSpider ID10478619

  • Charge - Charge

More details:

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

1-(3-{4-[(2Z)-3-({2-[4-(3-Aminopropoxy)-3,5-dibromophenyl]ethyl}amino)-2-(hydroxyimino)-3-oxopropyl]-2,6-dibromophenoxy}propyl)pyridinium [ACD/IUPAC Name]
1-(3-{4-[(2Z)-3-({2-[4-(3-Aminopropoxy)-3,5-dibromophényl]éthyl}amino)-2-(hydroxyimino)-3-oxopropyl]-2,6-dibromophénoxy}propyl)pyridinium [French] [ACD/IUPAC Name]
1-(3-{4-[(2Z)-3-({2-[4-(3-Aminopropoxy)-3,5-dibromphenyl]ethyl}amino)-2-(hydroxyimino)-3-oxopropyl]-2,6-dibromphenoxy}propyl)pyridinium [German] [ACD/IUPAC Name]
Pyridinium, 1-[3-[4-[(2Z)-3-[[2-[4-(3-aminopropoxy)-3,5-dibromophenyl]ethyl]amino]-2-(hydroxyimino)-3-oxopropyl]-2,6-dibromophenoxy]propyl]- [ACD/Index Name]
tokaradine

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 0.31
ACD/LogD (pH 5.5): 0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.67
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.72
Polar Surface Area: 110 Å2
Polarizability:
Surface Tension:
Molar Volume:

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