ChemSpider 2D Image | compound 3 [PMID: 19097791] | C26H26N6O2

compound 3 [PMID: 19097791]

  • Molecular FormulaC26H26N6O2
  • Average mass454.524 Da
  • Monoisotopic mass454.211731 Da
  • ChemSpider ID24715165

More details:

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

2-Methoxy-4-{3-[4-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}phenol [German] [ACD/IUPAC Name]
2-Methoxy-4-{3-[4-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}phenol [ACD/IUPAC Name]
2-Méthoxy-4-{3-[4-(4-méthyl-1-pipérazinyl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}phénol [French] [ACD/IUPAC Name]
compound 3 [PMID: 19097791]
Phenol, 2-methoxy-4-[3-[4-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]- [ACD/Index Name]
2-methoxy-4-{3-[4-(4-methylpiperazin-1-yl)-1H-1,3-benzodiazol-2-yl]-1H-indazol-6-yl}phenol
compound 3 [PMID 19097791]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL514197/
indazole-benzimidazole, 3

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

Density: 1.3±0.1 g/cm3
Boiling Point: 745.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 404.7±35.7 °C
Index of Refraction: 1.721
Molar Refractivity: 133.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.08
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 32.67
ACD/KOC (pH 7.4): 328.89
Polar Surface Area: 93 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 337.1±3.0 cm3

Click to predict properties on the Chemicalize site


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