ChemSpider 2D Image | 4-[({[5-(Benzyloxy)-1-(3-carbamimidoylbenzyl)-1H-indol-2-yl]carbonyl}amino)methyl]-N,N,N-trimethylanilinium | C34H36N5O2

4-[({[5-(Benzyloxy)-1-(3-carbamimidoylbenzyl)-1H-indol-2-yl]carbonyl}amino)methyl]-N,N,N-trimethylanilinium

  • Molecular FormulaC34H36N5O2
  • Average mass546.681 Da
  • Monoisotopic mass546.286377 Da
  • ChemSpider ID394195
  • Charge - Charge


More details:






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

[4-({[5-Benzyloxy-1-(3-carbamimidoyl-benzyl)-1H-indole-2-carbonyl]-amino}-methyl)-phenyl]-trimethyl-ammonium
4-[({[5-(Benzyloxy)-1-(3-carbamimidoylbenzyl)-1H-indol-2-yl]carbonyl}amino)methyl]-N,N,N-trimethylanilinium [German] [ACD/IUPAC Name]
4-[({[5-(Benzyloxy)-1-(3-carbamimidoylbenzyl)-1H-indol-2-yl]carbonyl}amino)methyl]-N,N,N-trimethylanilinium [ACD/IUPAC Name]
4-[({[5-(Benzyloxy)-1-(3-carbamimidoylbenzyl)-1H-indol-2-yl]carbonyl}amino)méthyl]-N,N,N-triméthylanilinium [French] [ACD/IUPAC Name]
Benzenaminium, 4-[[[[1-[[3-[(Z)-aminoiminomethyl]phenyl]methyl]-5-(phenylmethoxy)-1H-indol-2-yl]carbonyl]amino]methyl]-N,N,N-trimethyl- [ACD/Index Name]
4-({[5-(benzyloxy)-1-[(3-carbamimidoylphenyl)methyl]-1H-indol-2-yl]formamido}methyl)-N,N,N-trimethylanilinium
IMA

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.08
ACD/LogD (pH 5.5): -0.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.42
ACD/LogD (pH 7.4): -0.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.42
Polar Surface Area: 93 Å2
Polarizability:
Surface Tension:
Molar Volume:

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