ChemSpider 2D Image | 1-(bis(3-(ethoxycarbonyl)-4-hydroxy-2-morpholino-1,6-dihydro-6-oxopyridin-5-yl)methyl)-2,6-dichlorobenzene | C31H34Cl2N4O10

1-(bis(3-(ethoxycarbonyl)-4-hydroxy-2-morpholino-1,6-dihydro-6-oxopyridin-5-yl)methyl)-2,6-dichlorobenzene

  • Molecular FormulaC31H34Cl2N4O10
  • Average mass693.529 Da
  • Monoisotopic mass692.165222 Da
  • ChemSpider ID351137

More details:

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

1-(bis(3-(ethoxycarbonyl)-4-hydroxy-2-morpholino-1,6-dihydro-6-oxopyridin-5-yl)methyl)-2,6-dichlorobenzene
3-Pyridinecarboxylic acid, 5,5'-[(2,6-dichlorophenyl)methylene]bis[1,4-dihydro-6-hydroxy-2-(4-morpholinyl)-4-oxo-, diethyl ester [ACD/Index Name]
5,5'-[(2,6-Dichlorophényl)méthylène]bis[6-hydroxy-2-(4-morpholinyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylate] de diéthyle [French] [ACD/IUPAC Name]
Diethyl 5,5'-[(2,6-dichlorophenyl)methylene]bis[6-hydroxy-2-(4-morpholinyl)-4-oxo-1,4-dihydro-3-pyridinecarboxylate] [ACD/IUPAC Name]
Diethyl-5,5'-[(2,6-dichlorphenyl)methylen]bis[6-hydroxy-2-(4-morpholinyl)-4-oxo-1,4-dihydro-3-pyridincarboxylat] [German] [ACD/IUPAC Name]

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

NCI60_036459 [DBID]
NSC701639 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 830.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.5±3.0 kJ/mol
Flash Point: 456.0±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 166.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 1.49
ACD/KOC (pH 5.5): 17.85
ACD/LogD (pH 7.4): -0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 176 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 457.2±3.0 cm3

Click to predict properties on the Chemicalize site


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