ChemSpider 2D Image | 7-(2-Carboxy-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-1-(2-methyl-2-propanyl)-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid | C21H21N5O7

7-(2-Carboxy-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-1-(2-methyl-2-propanyl)-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC21H21N5O7
  • Average mass455.421 Da
  • Monoisotopic mass455.144104 Da
  • ChemSpider ID23336486

More details:

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

3-Quinolinecarboxylic acid, 7-(2-carboxy-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-1-(1,1-dimethylethyl)-1,4-dihydro-6-nitro-4-oxo- [ACD/Index Name]
7-(2-Carboxy-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-1-(2-methyl-2-propanyl)-6-nitro-4-oxo-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
7-(2-Carboxy-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-1-(2-methyl-2-propanyl)-6-nitro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
Acide 7-(2-carboxy-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-1-(2-méthyl-2-propanyl)-6-nitro-4-oxo-1,4-dihydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]
1-tert-Butyl-7-(2-carboxy-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H )-yl)-1,4-dihydro-6-nitro-4-oxoquinoline-3-carboxylic acid
1-tert-butyl-7-(2-carboxy-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)-6-nitro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL463237/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 816.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.4±3.0 kJ/mol
Flash Point: 447.4±34.3 °C
Index of Refraction: 1.722
Molar Refractivity: 114.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.23
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 162 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 70.5±7.0 dyne/cm
Molar Volume: 287.9±7.0 cm3

Click to predict properties on the Chemicalize site


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