ChemSpider 2D Image | 3-Butyl-5-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one | C28H30FN5O2

3-Butyl-5-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one

  • Molecular FormulaC28H30FN5O2
  • Average mass487.569 Da
  • Monoisotopic mass487.238342 Da
  • ChemSpider ID26308013

More details:

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

3-Butyl-5-{2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl}-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one [ACD/IUPAC Name]
3-Butyl-5-{2-[4-(4-fluorophényl)-1-pipérazinyl]-2-oxoéthyl}-7-phényl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one [French] [ACD/IUPAC Name]
3-Butyl-5-{2-[4-(4-fluorphenyl)-1-piperazinyl]-2-oxoethyl}-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-on [German] [ACD/IUPAC Name]
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 3-butyl-5-[2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-3,5-dihydro-7-phenyl- [ACD/Index Name]
1226440-95-4 [RN]
1-Ethyl-3-(4-fluorobenzyl)-7-(4-methoxyphenyl)pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione [ACD/IUPAC Name]
3-butyl-5-(2-(4-(4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-7-phenyl-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
3-butyl-5-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-phenyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
3-Butyl-5-{2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-7-phenyl-3,5-dihydro-pyrrolo[3,2-d]pyrimidin-4-one
3-butyl-5-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 725.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.6±35.7 °C
Index of Refraction: 1.643
Molar Refractivity: 139.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.23
ACD/KOC (pH 5.5): 1129.00
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.47
ACD/KOC (pH 7.4): 1131.09
Polar Surface Area: 61 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 384.7±7.0 cm3

Click to predict properties on the Chemicalize site


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