ChemSpider 2D Image | 2-{5-[4-Amino-2-(2-thienyl)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl}-6-methyl-4H-chromen-4-one | C19H12N4O4S

2-{5-[4-Amino-2-(2-thienyl)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl}-6-methyl-4H-chromen-4-one

  • Molecular FormulaC19H12N4O4S
  • Average mass392.388 Da
  • Monoisotopic mass392.057922 Da
  • ChemSpider ID27475773

More details:

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

2-{5-[4-Amino-2-(2-thienyl)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl}-6-methyl-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-{5-[4-Amino-2-(2-thienyl)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl}-6-methyl-4H-chromen-4-one [ACD/IUPAC Name]
2-{5-[4-Amino-2-(2-thiényl)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl}-6-méthyl-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[5-[4-amino-2-(2-thienyl)-5-oxazolyl]-1,3,4-oxadiazol-2-yl]-6-methyl- [ACD/Index Name]
2-{5-[4-amino-2-(thiophen-2-yl)-1,3-oxazol-5-yl]-1,3,4-oxadiazol-2-yl}-6-methyl-4H-chromen-4-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 646.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.8±34.3 °C
Index of Refraction: 1.682
Molar Refractivity: 99.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.21
ACD/KOC (pH 5.5): 445.40
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 35.21
ACD/KOC (pH 7.4): 445.40
Polar Surface Area: 146 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 72.6±3.0 dyne/cm
Molar Volume: 263.1±3.0 cm3

Click to predict properties on the Chemicalize site


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