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Search term: ABBJGBXBPXOWOG-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 2-tert-butyl-5-[(2-ethoxypyridin-4-yl)sulfonyl]-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazole | C24H31N3O4S

2-tert-butyl-5-[(2-ethoxypyridin-4-yl)sulfonyl]-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazole

  • Molecular FormulaC24H31N3O4S
  • Average mass457.586 Da
  • Monoisotopic mass457.203522 Da
  • ChemSpider ID23316369

More details:

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

1H-Benzimidazole, 2-(1,1-dimethylethyl)-5-[(2-ethoxy-4-pyridinyl)sulfonyl]-1-[(tetrahydro-2H-pyran-4-yl)methyl]- [ACD/Index Name]
2-tert-butyl-5-[(2-ethoxypyridin-4-yl)sulfonyl]-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazole
5-[(2-Ethoxy-4-pyridinyl)sulfonyl]-2-(2-methyl-2-propanyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol [German] [ACD/IUPAC Name]
5-[(2-Ethoxy-4-pyridinyl)sulfonyl]-2-(2-methyl-2-propanyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazole [ACD/IUPAC Name]
5-[(2-Éthoxy-4-pyridinyl)sulfonyl]-2-(2-méthyl-2-propanyl)-1-(tétrahydro-2H-pyran-4-ylméthyl)-1H-benzimidazole [French] [ACD/IUPAC Name]
2-tert-butyl-5-(2-ethoxypyridin-4-sulfonyl)-1-tetrahydropyran-4-ylmethyl)-1H-benzimidazole
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL411504/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 655.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.0±3.0 kJ/mol
Flash Point: 350.0±28.7 °C
Index of Refraction: 1.613
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 532.87
ACD/KOC (pH 5.5): 3105.42
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 538.01
ACD/KOC (pH 7.4): 3135.36
Polar Surface Area: 92 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 46.5±7.0 dyne/cm
Molar Volume: 359.9±7.0 cm3

Click to predict properties on the Chemicalize site


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