ChemSpider 2D Image | 3-[(E)-(2-Hydroxy-3-nitrobenzylidene)amino]-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one | C19H12N4O4S

3-[(E)-(2-Hydroxy-3-nitrobenzylidene)amino]-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC19H12N4O4S
  • Average mass392.388 Da
  • Monoisotopic mass392.057922 Da
  • ChemSpider ID21539623
  • Double-bond stereo - Double-bond stereo


More details:






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

3-[(E)-(2-Hydroxy-3-nitrobenzyliden)amino]-5-phenylthieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
3-[(E)-(2-Hydroxy-3-nitrobenzylidene)amino]-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
3-[(E)-(2-Hydroxy-3-nitrobenzylidène)amino]-5-phénylthiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4(3H)-one, 3-[[(1E)-(2-hydroxy-3-nitrophenyl)methylene]amino]-5-phenyl- [ACD/Index Name]
3-{[(1E)-(2-hydroxy-3-nitrophenyl)methylene]amino}-5-phenylthieno[2,3-d]pyrimidin-4(3H)-one

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

Density: 1.5±0.1 g/cm3
Boiling Point: 583.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 306.9±32.9 °C
Index of Refraction: 1.747
Molar Refractivity: 105.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 234.28
ACD/KOC (pH 5.5): 1382.05
ACD/LogD (pH 7.4): 1.91
ACD/BCF (pH 7.4): 5.70
ACD/KOC (pH 7.4): 33.65
Polar Surface Area: 139 Å2
Polarizability: 41.7±0.5 10-24cm3
Surface Tension: 69.9±7.0 dyne/cm
Molar Volume: 258.9±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement