ChemSpider 2D Image | 7-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(2-methyl-2-propanyl)-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C25H26ClN3O6

7-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(2-methyl-2-propanyl)-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC25H26ClN3O6
  • Average mass499.943 Da
  • Monoisotopic mass499.151001 Da
  • ChemSpider ID23336479

More details:

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

3-Quinolinecarboxylic acid, 7-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(1,1-dimethylethyl)-1,4-dihydro-6-nitro-4-oxo- [ACD/Index Name]
7-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(2-methyl-2-propanyl)-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
7-[4-(4-Chlorphenyl)-4-hydroxy-1-piperidinyl]-1-(2-methyl-2-propanyl)-6-nitro-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
Acide 7-[4-(4-chlorophényl)-4-hydroxy-1-pipéridinyl]-1-(2-méthyl-2-propanyl)-6-nitro-4-oxo-1,4-dihydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]
1-tert-Butyl-7-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-1,4-dihydro-6-nitro-4-oxoquinoline-3-carboxylic acid
1-tert-butyl-7-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 720.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 389.7±32.9 °C
Index of Refraction: 1.655
Molar Refractivity: 128.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 201.64
ACD/KOC (pH 5.5): 1518.44
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 28.83
ACD/KOC (pH 7.4): 217.13
Polar Surface Area: 127 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 68.1±3.0 dyne/cm
Molar Volume: 349.3±3.0 cm3

Click to predict properties on the Chemicalize site


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