ChemSpider 2D Image | 1-(3-{(2S,5S)-5-[(6-Bromo-1H-indol-3-yl)methyl]-3,6-dioxo-2-piperazinyl}propyl)guanidine | C17H21BrN6O2

1-(3-{(2S,5S)-5-[(6-Bromo-1H-indol-3-yl)methyl]-3,6-dioxo-2-piperazinyl}propyl)guanidine

  • Molecular FormulaC17H21BrN6O2
  • Average mass421.292 Da
  • Monoisotopic mass420.090942 Da
  • ChemSpider ID23326657

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(3-{(2S,5S)-5-[(6-Brom-1H-indol-3-yl)methyl]-3,6-dioxo-2-piperazinyl}propyl)guanidin [German] [ACD/IUPAC Name]
1-(3-{(2S,5S)-5-[(6-Bromo-1H-indol-3-yl)methyl]-3,6-dioxo-2-piperazinyl}propyl)guanidine [ACD/IUPAC Name]
1-(3-{(2S,5S)-5-[(6-Bromo-1H-indol-3-yl)méthyl]-3,6-dioxo-2-pipérazinyl}propyl)guanidine [French] [ACD/IUPAC Name]
Guanidine, N-[3-[(2S,5S)-5-[(6-bromo-1H-indol-3-yl)methyl]-3,6-dioxo-2-piperazinyl]propyl]- [ACD/Index Name]
1-(3-{(2S,5S)-5-[(6-bromo-1H-indol-3-yl)methyl]-3,6-dioxopiperazin-2-yl}propyl)guanidine
CHEMBL511609
cyclo[(6-bromotryptophan)arginine]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL511609/

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.757
Molar Refractivity: 98.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -1.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 136 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 69.9±7.0 dyne/cm
Molar Volume: 240.2±7.0 cm3

Click to predict properties on the Chemicalize site


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