ChemSpider 2D Image | Methyl (5Z)-4-{3-[(4-carbamoyl-5-oxido-1,2,5-oxadiazol-3-yl)methoxy]phenyl}-5-[hydroxy(methoxy)methylene]-2,6-dimethyl-4,5-dihydro-3-pyridinecarboxylate | C21H22N4O8

Methyl (5Z)-4-{3-[(4-carbamoyl-5-oxido-1,2,5-oxadiazol-3-yl)methoxy]phenyl}-5-[hydroxy(methoxy)methylene]-2,6-dimethyl-4,5-dihydro-3-pyridinecarboxylate

  • Molecular FormulaC21H22N4O8
  • Average mass458.421 Da
  • Monoisotopic mass458.143768 Da
  • ChemSpider ID23223014

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z)-4-{3-[(4-Carbamoyl-5-oxydo-1,2,5-oxadiazol-3-yl)méthoxy]phényl}-5-[hydroxy(méthoxy)méthylène]-2,6-diméthyl-4,5-dihydro-3-pyridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Pyridinecarboxylic acid, 4-[3-[[4-(aminocarbonyl)-5-oxido-1,2,5-oxadiazol-3-yl]methoxy]phenyl]-4,5-dihydro-5-(hydroxymethoxymethylene)-2,6-dimethyl-, methyl ester, (5Z)- [ACD/Index Name]
Methyl (5Z)-4-{3-[(4-carbamoyl-5-oxido-1,2,5-oxadiazol-3-yl)methoxy]phenyl}-5-[hydroxy(methoxy)methylene]-2,6-dimethyl-4,5-dihydro-3-pyridinecarboxylate [ACD/IUPAC Name]
methyl (5Z)-4-{3-[(4-carbamoyl-5-oxido-1,2,5-oxadiazol-3-yl)methoxy]phenyl}-5-[hydroxy(methoxy)methylidene]-2,6-dimethyl-4,5-dihydropyridine-3-carboxylate
Methyl-(5Z)-4-{3-[(4-carbamoyl-5-oxido-1,2,5-oxadiazol-3-yl)methoxy]phenyl}-5-[hydroxy(methoxy)methylen]-2,6-dimethyl-4,5-dihydro-3-pyridincarboxylat [German] [ACD/IUPAC Name]
4-[3-(4-Carbamoyl-5-oxy-furazan-3-ylmethoxy)-phenyl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester

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

Density: 1.5±0.1 g/cm3
Boiling Point: 650.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 347.2±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 111.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.42
ACD/KOC (pH 5.5): 145.40
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 6.90
ACD/KOC (pH 7.4): 135.24
Polar Surface Area: 172 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 54.3±7.0 dyne/cm
Molar Volume: 313.4±7.0 cm3

Click to predict properties on the Chemicalize site


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