ChemSpider 2D Image | Dimethyl N-[(2-{[3-phenyl-6-(2-thienyl)[1,2]oxazolo[5,4-b]pyridin-4-yl]carbonyl}hydrazino)carbonothioyl]aspartate | C24H21N5O6S2

Dimethyl N-[(2-{[3-phenyl-6-(2-thienyl)[1,2]oxazolo[5,4-b]pyridin-4-yl]carbonyl}hydrazino)carbonothioyl]aspartate

  • Molecular FormulaC24H21N5O6S2
  • Average mass539.583 Da
  • Monoisotopic mass539.093323 Da
  • ChemSpider ID102422274

More details:

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

Aspartic acid, N-[[2-[[3-phenyl-6-(2-thienyl)isoxazolo[5,4-b]pyridin-4-yl]carbonyl]hydrazinyl]thioxomethyl]-, dimethyl ester [ACD/Index Name]
Dimethyl N-[(2-{[3-phenyl-6-(2-thienyl)[1,2]oxazolo[5,4-b]pyridin-4-yl]carbonyl}hydrazino)carbonothioyl]aspartate [ACD/IUPAC Name]
Dimethyl-N-[(2-{[3-phenyl-6-(2-thienyl)[1,2]oxazolo[5,4-b]pyridin-4-yl]carbonyl}hydrazino)carbonothioyl]aspartat [German] [ACD/IUPAC Name]
N-[(2-{[3-Phényl-6-(2-thiényl)[1,2]oxazolo[5,4-b]pyridin-4-yl]carbonyl}hydrazino)carbonothioyl]aspartate de diméthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 139.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.38
ACD/KOC (pH 5.5): 568.76
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 12.27
ACD/KOC (pH 7.4): 138.52
Polar Surface Area: 205 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 64.8±3.0 dyne/cm
Molar Volume: 382.2±3.0 cm3

Click to predict properties on the Chemicalize site


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