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Search term: AQZAJVBRYMBFPK-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Ethyl-8-(4-{[4-(4-fluorobenzyl)-1-piperazinyl]sulfonyl}phenyl)-3,7-dihydro-1H-purine-2,6-dione | C24H25FN6O4S

1-Ethyl-8-(4-{[4-(4-fluorobenzyl)-1-piperazinyl]sulfonyl}phenyl)-3,7-dihydro-1H-purine-2,6-dione

  • Molecular FormulaC24H25FN6O4S
  • Average mass512.557 Da
  • Monoisotopic mass512.164185 Da
  • ChemSpider ID24717447

More details:

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

1-Ethyl-8-(4-{[4-(4-fluorbenzyl)-1-piperazinyl]sulfonyl}phenyl)-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1-Ethyl-8-(4-{[4-(4-fluorobenzyl)-1-piperazinyl]sulfonyl}phenyl)-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1-Éthyl-8-(4-{[4-(4-fluorobenzyl)-1-pipérazinyl]sulfonyl}phényl)-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
1H-Purine-2,6-dione, 1-ethyl-8-[4-[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]-3,7-dihydro- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL520297/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 129.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 21.53
ACD/KOC (pH 5.5): 279.21
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 18.15
ACD/KOC (pH 7.4): 235.36
Polar Surface Area: 127 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 62.0±3.0 dyne/cm
Molar Volume: 359.7±3.0 cm3

Click to predict properties on the Chemicalize site


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