ChemSpider 2D Image | 5-{6-[(trans-4-Aminocyclohexyl)amino]-2-pyrazinyl}-1-benzofuran-2-carboxylic acid | C19H20N4O3

5-{6-[(trans-4-Aminocyclohexyl)amino]-2-pyrazinyl}-1-benzofuran-2-carboxylic acid

  • Molecular FormulaC19H20N4O3
  • Average mass352.387 Da
  • Monoisotopic mass352.153534 Da
  • ChemSpider ID26329268

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Benzofurancarboxylic acid, 5-[6-[(trans-4-aminocyclohexyl)amino]-2-pyrazinyl]- [ACD/Index Name]
5-{6-[(trans-4-Aminocyclohexyl)amino]-2-pyrazinyl}-1-benzofuran-2-carbonsäure [German] [ACD/IUPAC Name]
5-{6-[(trans-4-Aminocyclohexyl)amino]-2-pyrazinyl}-1-benzofuran-2-carboxylic acid [ACD/IUPAC Name]
5-{6-[(Trans-4-Aminocyclohexyl)amino]pyrazin-2-Yl}-1-Benzofuran-2-Carboxylic Acid
Acide 5-{6-[(trans-4-aminocyclohexyl)amino]-2-pyrazinyl}-1-benzofurane-2-carboxylique [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL1782513/
Unq

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

Density: 1.4±0.1 g/cm3
Boiling Point: 606.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 320.6±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.14
ACD/LogD (pH 5.5): -0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.20
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.21
Polar Surface Area: 114 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 260.1±3.0 cm3

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