ChemSpider 2D Image | 6-{4-[3-(4-Aminophenyl)-3-oxopropyl]-5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl}-9-fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one | C28H29FN6O4S

6-{4-[3-(4-Aminophenyl)-3-oxopropyl]-5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl}-9-fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one

  • Molecular FormulaC28H29FN6O4S
  • Average mass564.631 Da
  • Monoisotopic mass564.195496 Da
  • ChemSpider ID31146773

More details:

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

6-{4-[3-(4-Aminophenyl)-3-oxopropyl]-5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl}-9-fluor-3-methyl-10-(4-methyl-1-piperazinyl)-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]chinolin-7-on [German] [ACD/IUPAC Name]
6-{4-[3-(4-Aminophényl)-3-oxopropyl]-5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl}-9-fluoro-3-méthyl-10-(4-méthyl-1-pipérazinyl)-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoléin-7-one [French] [ACD/IUPAC Name]
6-{4-[3-(4-Aminophenyl)-3-oxopropyl]-5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl}-9-fluoro-3-methyl-10-(4-methyl-1-piperazinyl)-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinolin-7-one [ACD/IUPAC Name]
7H-1,4-Oxazino[2,3,4-ij]quinolin-7-one, 6-[4-[3-(4-aminophenyl)-3-oxopropyl]-4,5-dihydro-5-thioxo-1,3,4-oxadiazol-2-yl]-9-fluoro-2,3-dihydro-3-methyl-10-(4-methyl-1-piperazinyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 758.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.5±3.0 kJ/mol
Flash Point: 412.4±35.7 °C
Index of Refraction: 1.726
Molar Refractivity: 148.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.86
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.37
ACD/KOC (pH 7.4): 86.87
Polar Surface Area: 136 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 58.7±7.0 dyne/cm
Molar Volume: 373.5±7.0 cm3

Click to predict properties on the Chemicalize site


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