ChemSpider 2D Image | 4-[(8E)-7-Acetyl-8-({cis-4-[(dimethylamino)methyl]cyclohexyl}imino)-5,8-dihydro-1,5-naphthyridin-2(1H)-ylidene]-2,6-dichloro-2,5-cyclohexadien-1-one | C25H28Cl2N4O2

4-[(8E)-7-Acetyl-8-({cis-4-[(dimethylamino)methyl]cyclohexyl}imino)-5,8-dihydro-1,5-naphthyridin-2(1H)-ylidene]-2,6-dichloro-2,5-cyclohexadien-1-one

  • Molecular FormulaC25H28Cl2N4O2
  • Average mass487.421 Da
  • Monoisotopic mass486.158936 Da
  • ChemSpider ID57641993

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,5-Cyclohexadien-1-one, 4-[(8E)-7-acetyl-8-[[cis-4-[(dimethylamino)methyl]cyclohexyl]imino]-5,8-dihydro-1,5-naphthyridin-2(1H)-ylidene]-2,6-dichloro- [ACD/Index Name]
4-[(8E)-7-Acetyl-8-({cis-4-[(dimethylamino)methyl]cyclohexyl}imino)-5,8-dihydro-1,5-naphthyridin-2(1H)-yliden]-2,6-dichlor-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-[(8E)-7-Acetyl-8-({cis-4-[(dimethylamino)methyl]cyclohexyl}imino)-5,8-dihydro-1,5-naphthyridin-2(1H)-ylidene]-2,6-dichloro-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
4-[(8E)-7-Acétyl-8-({cis-4-[(diméthylamino)méthyl]cyclohexyl}imino)-5,8-dihydro-1,5-naphtyridin-2(1H)-ylidène]-2,6-dichloro-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 532.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±3.0 kJ/mol
Flash Point: 276.0±30.1 °C
Index of Refraction: 1.657
Molar Refractivity: 131.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -3.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 74 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 356.1±7.0 cm3

Click to predict properties on the Chemicalize site


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