ChemSpider 2D Image | 3-{3-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-3-oxopropyl}-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one | C24H23ClFN5O2

3-{3-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-3-oxopropyl}-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

  • Molecular FormulaC24H23ClFN5O2
  • Average mass467.923 Da
  • Monoisotopic mass467.152435 Da
  • ChemSpider ID22531178

More details:

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

3-{3-[4-(5-Chlor-2-methylphenyl)-1-piperazinyl]-3-oxopropyl}-8-fluor-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-on [German] [ACD/IUPAC Name]
3-{3-[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]-3-oxopropyl}-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one [ACD/IUPAC Name]
3-{3-[4-(5-Chloro-2-méthylphényl)-1-pipérazinyl]-3-oxopropyl}-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one [French] [ACD/IUPAC Name]
4H-Pyrimido[5,4-b]indol-4-one, 3-[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-3-oxopropyl]-8-fluoro-3,5-dihydro- [ACD/Index Name]
1105248-10-9 [RN]
3-(3-(4-(5-chloro-2-methylphenyl)piperazin-1-yl)-3-oxopropyl)-8-fluoro-3,5-dihydro-4h-pyrimido[5,4-b]indol-4-one
3-(3-(4-(5-chloro-2-methylphenyl)piperazin-1-yl)-3-oxopropyl)-8-fluoro-3H-pyrimido[5,4-b]indol-4(5H)-one
3-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-one
3-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-8-fluoro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

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

Density: 1.4±0.1 g/cm3
Boiling Point: 743.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 403.3±35.7 °C
Index of Refraction: 1.695
Molar Refractivity: 124.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 166.10
ACD/KOC (pH 5.5): 1351.68
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 166.20
ACD/KOC (pH 7.4): 1352.50
Polar Surface Area: 72 Å2
Polarizability: 49.3±0.5 10-24cm3
Surface Tension: 55.1±7.0 dyne/cm
Molar Volume: 323.7±7.0 cm3

Click to predict properties on the Chemicalize site


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