ChemSpider 2D Image | {2-(3-Chlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate | C26H30ClN3O6

{2-(3-Chlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate

  • Molecular FormulaC26H30ClN3O6
  • Average mass515.986 Da
  • Monoisotopic mass515.182312 Da
  • ChemSpider ID2767564

More details:

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

{2-(3-Chlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinylidene}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolate [ACD/IUPAC Name]
{2-(3-Chlorophényl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinylidène}[5-(méthoxycarbonyl)-2,4-diméthyl-1H-pyrrol-3-yl]méthanolate [French] [ACD/IUPAC Name]
{2-(3-Chlorphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-3-pyrrolidinyliden}[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methanolat [German] [ACD/IUPAC Name]
Morpholinium, 4-[3-[2-(3-chlorophenyl)-3-[hydroxy[5-(methoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]methylene]-4,5-dioxo-1-pyrrolidinyl]propyl]-, inner salt [ACD/Index Name]

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

Density:
Boiling Point: 704.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 108.2±3.0 kJ/mol
Flash Point: 379.6±35.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 6.21
ACD/KOC (pH 5.5): 46.80
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 119.54
ACD/KOC (pH 7.4): 901.37
Polar Surface Area: 116 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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