ChemSpider 2D Image | 2-{[2-(Cyclopropylamino)-2-oxoethyl]sulfanyl}-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-3-carboxamide | C13H13N3O4S2

2-{[2-(Cyclopropylamino)-2-oxoethyl]sulfanyl}-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-3-carboxamide

  • Molecular FormulaC13H13N3O4S2
  • Average mass339.390 Da
  • Monoisotopic mass339.034760 Da
  • ChemSpider ID26041549

More details:






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

2-{[2-(Cyclopropylamino)-2-oxoethyl]sulfanyl}-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridin-3-carboxamid [German] [ACD/IUPAC Name]
2-{[2-(Cyclopropylamino)-2-oxoethyl]sulfanyl}-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-3-carboxamide [ACD/IUPAC Name]
2-{[2-(Cyclopropylamino)-2-oxoéthyl]sulfanyl}-7-hydroxy-5-oxo-4,5-dihydrothiéno[3,2-b]pyridine-3-carboxamide [French] [ACD/IUPAC Name]
Thieno[3,2-b]pyridine-3-carboxamide, 2-[[2-(cyclopropylamino)-2-oxoethyl]thio]-4,5-dihydro-7-hydroxy-5-oxo- [ACD/Index Name]
1189295-72-4 [RN]
2-[2-(cyclopropylamino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
2-{[2-(cyclopropylamino)-2-oxoethyl]sulfanyl}-5,7-dihydroxythieno[3,2-b]pyridine-3-carboxamide
2-Cyclopropylcarbamoylmethylsulfanyl-5,7-dihydroxy-thieno[3,2-b]pyridine-3-carboxylic acid amide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 799.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.3±3.0 kJ/mol
Flash Point: 437.2±32.9 °C
Index of Refraction: 1.788
Molar Refractivity: 84.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.08
ACD/LogD (pH 5.5): -2.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 109.7±5.0 dyne/cm
Molar Volume: 200.0±5.0 cm3

Click to predict properties on the Chemicalize site






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