ChemSpider 2D Image | 6-{4-[1-(2-Amino-2,3-dihydro-1H-imidazol-4-yl)ethyl]-7-hydroxy-1H-indol-3-yl}-3-(6-bromo-1H-indol-3-yl)-2(1H)-pyrazinone | C25H22BrN7O2

6-{4-[1-(2-Amino-2,3-dihydro-1H-imidazol-4-yl)ethyl]-7-hydroxy-1H-indol-3-yl}-3-(6-bromo-1H-indol-3-yl)-2(1H)-pyrazinone

  • Molecular FormulaC25H22BrN7O2
  • Average mass532.392 Da
  • Monoisotopic mass531.101807 Da
  • ChemSpider ID24715747

More details:

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

2(1H)-Pyrazinone, 6-[4-[1-(2-amino-2,3-dihydro-1H-imidazol-4-yl)ethyl]-7-hydroxy-1H-indol-3-yl]-3-(6-bromo-1H-indol-3-yl)- [ACD/Index Name]
6-{4-[1-(2-Amino-2,3-dihydro-1H-imidazol-4-yl)ethyl]-7-hydroxy-1H-indol-3-yl}-3-(6-brom-1H-indol-3-yl)-2(1H)-pyrazinon [German] [ACD/IUPAC Name]
6-{4-[1-(2-Amino-2,3-dihydro-1H-imidazol-4-yl)ethyl]-7-hydroxy-1H-indol-3-yl}-3-(6-bromo-1H-indol-3-yl)-2(1H)-pyrazinone [ACD/IUPAC Name]
6-{4-[1-(2-Amino-2,3-dihydro-1H-imidazol-4-yl)éthyl]-7-hydroxy-1H-indol-3-yl}-3-(6-bromo-1H-indol-3-yl)-2(1H)-pyrazinone [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL513753/

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: 1.851
Molar Refractivity: 131.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 1.41
ACD/LogD (pH 5.5): -1.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.02
Polar Surface Area: 143 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 73.8±7.0 dyne/cm
Molar Volume: 294.7±7.0 cm3

Click to predict properties on the Chemicalize site


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