ChemSpider 2D Image | 4-Benzyl-N-(3,5-difluorobenzyl)-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide | C22H16F2N2O3S

4-Benzyl-N-(3,5-difluorobenzyl)-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide

  • Molecular FormulaC22H16F2N2O3S
  • Average mass426.436 Da
  • Monoisotopic mass426.084961 Da
  • ChemSpider ID26319479

More details:

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

4-Benzyl-N-(3,5-difluorbenzyl)-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridin-6-carboxamid [German] [ACD/IUPAC Name]
4-Benzyl-N-(3,5-difluorobenzyl)-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide [ACD/IUPAC Name]
4-Benzyl-N-(3,5-difluorobenzyl)-7-hydroxy-5-oxo-4,5-dihydrothiéno[3,2-b]pyridine-6-carboxamide [French] [ACD/IUPAC Name]
Thieno[3,2-b]pyridine-6-carboxamide, N-[(3,5-difluorophenyl)methyl]-4,5-dihydro-7-hydroxy-5-oxo-4-(phenylmethyl)- [ACD/Index Name]
1251695-89-2 [RN]
N-(2-methylphenyl)-2-[6-(4-methylphenyl)-2-(methylthio)-5,7-dioxo-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-4(5H)-yl]acetamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 623.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 330.8±31.5 °C
Index of Refraction: 1.677
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 13.29
ACD/KOC (pH 5.5): 132.42
ACD/LogD (pH 7.4): 0.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.24
Polar Surface Area: 98 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 287.1±3.0 cm3

Click to predict properties on the Chemicalize site


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