ChemSpider 2D Image | 1-({(5S,7S)-3-[5-(2-Hydroxy-2-propanyl)-2-pyrazinyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]dec-7-yl}methyl)-1H-benzimidazole-6-carbonitrile | C25H28N6O3

1-({(5S,7S)-3-[5-(2-Hydroxy-2-propanyl)-2-pyrazinyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]dec-7-yl}methyl)-1H-benzimidazole-6-carbonitrile

  • Molecular FormulaC25H28N6O3
  • Average mass460.528 Da
  • Monoisotopic mass460.222290 Da
  • ChemSpider ID58805596

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-({(5S,7S)-3-[5-(2-Hydroxy-2-propanyl)-2-pyrazinyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]dec-7-yl}methyl)-1H-benzimidazol-6-carbonitril [German] [ACD/IUPAC Name]
1-({(5S,7S)-3-[5-(2-Hydroxy-2-propanyl)-2-pyrazinyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]dec-7-yl}methyl)-1H-benzimidazole-6-carbonitrile [ACD/IUPAC Name]
1-({(5S,7S)-3-[5-(2-Hydroxy-2-propanyl)-2-pyrazinyl]-7-méthyl-2-oxo-1-oxa-3-azaspiro[4.5]déc-7-yl}méthyl)-1H-benzimidazole-6-carbonitrile [French] [ACD/IUPAC Name]
1H-Benzimidazole-6-carbonitrile, 1-[[(5S,7S)-3-[5-(1-hydroxy-1-methylethyl)-2-pyrazinyl]-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]dec-7-yl]methyl]- [ACD/Index Name]
1-(((5S,7S)-3-(5-(2-Hydroxypropan-2-yl)pyrazin-2-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)-1H-benzo[d]imidazole-6-carbonitrile
1419609-94-1 [RN]
GSK2798745
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4470585/

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

Density: 1.4±0.1 g/cm3
Boiling Point: 682.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.1±3.0 kJ/mol
Flash Point: 366.3±34.3 °C
Index of Refraction: 1.680
Molar Refractivity: 128.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 113.61
ACD/KOC (pH 5.5): 1026.29
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 115.08
ACD/KOC (pH 7.4): 1039.59
Polar Surface Area: 117 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 57.3±7.0 dyne/cm
Molar Volume: 339.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement