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Search term: SUXYGJZMCWKJJI-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | compound 8h [PMID: 21561767] | C30H33F3N6O3

compound 8h [PMID: 21561767]

  • Molecular FormulaC30H33F3N6O3
  • Average mass582.617 Da
  • Monoisotopic mass582.256653 Da
  • ChemSpider ID26333807

More details:

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

1H-Imidazole-2-carboxamide, 5-[2-[5-[[[4-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-3-(trifluoromethyl)phenyl]amino]carbonyl]-2-methylphenyl]ethynyl]-N,1-dimethyl- [ACD/Index Name]
5-[(5-{[4-{[4-(2-Hydroxyethyl)-1-piperazinyl]methyl}-3-(trifluormethyl)phenyl]carbamoyl}-2-methylphenyl)ethinyl]-N,1-dimethyl-1H-imidazol-2-carboxamid [German] [ACD/IUPAC Name]
5-[(5-{[4-{[4-(2-Hydroxyethyl)-1-piperazinyl]methyl}-3-(trifluoromethyl)phenyl]carbamoyl}-2-methylphenyl)ethynyl]-N,1-dimethyl-1H-imidazole-2-carboxamide [ACD/IUPAC Name]
5-[(5-{[4-{[4-(2-Hydroxyéthyl)-1-pipérazinyl]méthyl}-3-(trifluorométhyl)phényl]carbamoyl}-2-méthylphényl)éthynyl]-N,1-diméthyl-1H-imidazole-2-carboxamide [French] [ACD/IUPAC Name]
compound 8h [PMID: 21561767]
5-[2-[5-[[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]carbamoyl]-2-methylphenyl]ethynyl]-N,1-dimethylimidazole-2-carboxamide
compound 8h [PMID 21561767]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.599
Molar Refractivity: 153.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 3.14
ACD/KOC (pH 5.5): 31.63
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 60.01
ACD/KOC (pH 7.4): 604.61
Polar Surface Area: 103 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 450.4±7.0 cm3

Click to predict properties on the Chemicalize site


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