ChemSpider 2D Image | OTSSP167 | C25H28Cl2N4O2

OTSSP167

  • Molecular FormulaC25H28Cl2N4O2
  • Average mass487.421 Da
  • Monoisotopic mass486.158936 Da
  • ChemSpider ID32821778

More details:

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

2,5-Cyclohexadien-1-one, 4-[7-acetyl-8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1,5-naphthyridin-2(1H)-ylidene]-2,6-dichloro- [ACD/Index Name]
4-[7-Acetyl-8-({4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-2(1H)-yliden]-2,6-dichlor-2,5-cyclohexadien-1-on [German] [ACD/IUPAC Name]
4-[7-Acetyl-8-({4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-2(1H)-ylidene]-2,6-dichloro-2,5-cyclohexadien-1-one [ACD/IUPAC Name]
4-[7-Acétyl-8-({4-[(diméthylamino)méthyl]cyclohexyl}amino)-1,5-naphtyridin-2(1H)-ylidène]-2,6-dichloro-2,5-cyclohexadién-1-one [French] [ACD/IUPAC Name]
OTSSP167
1431697-89-0 [RN]
4-[7-Acetyl-8-({4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-2(1H)-ylidene]-2,6-dichlorocyclohexa-2,5-dien-1-one
4-[7-acetyl-8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1H-1,5-naphthyridin-2-ylidene]-2,6-dichloro-1-cyclohexa-2,5-dienone
4-[7-acetyl-8-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-1H-1,5-naphthyridin-2-ylidene]-2,6-dichlorocyclohexa-2,5-dien-1-one
AMX10201
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 614.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.2±3.0 kJ/mol
Flash Point: 325.5±31.5 °C
Index of Refraction: 1.640
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.09
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 3.41
ACD/KOC (pH 7.4): 19.34
Polar Surface Area: 74 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 59.6±5.0 dyne/cm
Molar Volume: 363.2±5.0 cm3

Click to predict properties on the Chemicalize site


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