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Search term: DXXSLNCEWQRJBH-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 1-Propyl-8-[4-({4-[3-(trifluoromethyl)benzyl]-1-piperazinyl}sulfonyl)phenyl]-3,7-dihydro-1H-purine-2,6-dione | C26H27F3N6O4S

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

  • Molecular FormulaC26H27F3N6O4S
  • Average mass576.591 Da
  • Monoisotopic mass576.176636 Da
  • ChemSpider ID24703021

More details:

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

1H-Purine-2,6-dione, 3,7-dihydro-1-propyl-8-[4-[[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]sulfonyl]phenyl]- [ACD/Index Name]
1-Propyl-8-[4-({4-[3-(trifluormethyl)benzyl]-1-piperazinyl}sulfonyl)phenyl]-3,7-dihydro-1H-purin-2,6-dion [German] [ACD/IUPAC Name]
1-Propyl-8-[4-({4-[3-(trifluoromethyl)benzyl]-1-piperazinyl}sulfonyl)phenyl]-3,7-dihydro-1H-purine-2,6-dione [ACD/IUPAC Name]
1-Propyl-8-[4-({4-[3-(trifluorométhyl)benzyl]-1-pipérazinyl}sulfonyl)phényl]-3,7-dihydro-1H-purine-2,6-dione [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL486688/

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: 1.604
Molar Refractivity: 139.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 196.14
ACD/KOC (pH 5.5): 1388.04
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 154.13
ACD/KOC (pH 7.4): 1090.73
Polar Surface Area: 127 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 54.9±3.0 dyne/cm
Molar Volume: 405.5±3.0 cm3

Click to predict properties on the Chemicalize site


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