Found 1 result

Search term: JRKZOGRRHIRUCN-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 8-(4-{[4-(4-Methoxybenzyl)-1-piperazinyl]sulfonyl}phenyl)-1-propyl-3,7-dihydro-1H-purine-2,6-dione | C26H30N6O5S

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

  • Molecular FormulaC26H30N6O5S
  • Average mass538.619 Da
  • Monoisotopic mass538.199829 Da
  • ChemSpider ID24700529

More details:

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

1H-Purine-2,6-dione, 3,7-dihydro-8-[4-[[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]phenyl]-1-propyl- [ACD/Index Name]
8-(4-{[4-(4-Methoxybenzyl)-1-piperazinyl]sulfonyl}phenyl)-1-propyl-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
8-(4-{[4-(4-Methoxybenzyl)-1-piperazinyl]sulfonyl}phenyl)-1-propyl-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
8-(4-{[4-(4-Méthoxybenzyl)-1-pipérazinyl]sulfonyl}phényl)-1-propyl-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL482855/

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: 1.630
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 28.30
ACD/KOC (pH 5.5): 329.64
ACD/LogD (pH 7.4): 2.26
ACD/BCF (pH 7.4): 26.59
ACD/KOC (pH 7.4): 309.76
Polar Surface Area: 136 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 396.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement