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Search term: OPEBMJVHBSSVLY-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-[2-(2,6-Dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | C27H29N3O5S

4-[2-(2,6-Dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

  • Molecular FormulaC27H29N3O5S
  • Average mass507.601 Da
  • Monoisotopic mass507.182800 Da
  • ChemSpider ID128714780

More details:

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

1H-Pyrrolo[2,3-c]pyridine-2-carboxamide, 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6,7-dihydro-6-methyl-7-oxo- [ACD/Index Name]
4-[2-(2,6-Dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-2-carboxamid [German] [ACD/IUPAC Name]
4-[2-(2,6-Dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide [ACD/IUPAC Name]
4-[2-(2,6-Diméthylphénoxy)-5-(éthylsulfonyl)phényl]-N-éthyl-6-méthyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4462804/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 721.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.4±3.0 kJ/mol
Flash Point: 390.3±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 137.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 306.29
ACD/KOC (pH 5.5): 2094.99
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 306.29
ACD/KOC (pH 7.4): 2094.98
Polar Surface Area: 117 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 395.9±3.0 cm3

Click to predict properties on the Chemicalize site


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