ChemSpider 2D Image | 3-[(4-Acetylphenyl)amino]-1-{[5-(diethylcarbamoyl)-3-(ethoxycarbonyl)-4-methyl-2-thienyl]amino}-2-(1-pyridiniumyl)-3-thioxo-1-propen-1-olate | C29H32N4O5S2

3-[(4-Acetylphenyl)amino]-1-{[5-(diethylcarbamoyl)-3-(ethoxycarbonyl)-4-methyl-2-thienyl]amino}-2-(1-pyridiniumyl)-3-thioxo-1-propen-1-olate

  • Molecular FormulaC29H32N4O5S2
  • Average mass580.718 Da
  • Monoisotopic mass580.181396 Da
  • ChemSpider ID2529322

More details:

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

3-[(4-Acetylphenyl)amino]-1-{[5-(diethylcarbamoyl)-3-(ethoxycarbonyl)-4-methyl-2-thienyl]amino}-2-(1-pyridiniumyl)-3-thioxo-1-propen-1-olat [German] [ACD/IUPAC Name]
3-[(4-Acetylphenyl)amino]-1-{[5-(diethylcarbamoyl)-3-(ethoxycarbonyl)-4-methyl-2-thienyl]amino}-2-(1-pyridiniumyl)-3-thioxo-1-propen-1-olate [ACD/IUPAC Name]
3-[(4-Acétylphényl)amino]-1-{[5-(diéthylcarbamoyl)-3-(éthoxycarbonyl)-4-méthyl-2-thiényl]amino}-2-(1-pyridiniumyl)-3-thioxo-1-propén-1-olate [French] [ACD/IUPAC Name]
Pyridinium, 1-[1-[[(4-acetylphenyl)amino]thioxomethyl]-2-[[5-[(diethylamino)carbonyl]-3-(ethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-hydroxyethenyl]-, inner salt [ACD/Index Name]
[(1E)-1-[(4-ACETYLPHENYL)AMINO]-2-{[5-(DIETHYLCARBAMOYL)-3-(ETHOXYCARBONYL)-4-METHYLTHIOPHEN-2-YL]CARBAMOYL}-2-(PYRIDIN-1-IUM-1-YL)ETH-1-EN-1-YL]SULFANIDE

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 175 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement