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Search term: STSWKOTUOJVWJD-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 8-cyclopentyl-3-(3-(4-fluorosulfonylbenzamido)propyl)-1-propylxanthine | C23H28FN5O5S

8-cyclopentyl-3-(3-(4-fluorosulfonylbenzamido)propyl)-1-propylxanthine

  • Molecular FormulaC23H28FN5O5S
  • Average mass505.562 Da
  • Monoisotopic mass505.179504 Da
  • ChemSpider ID8544319

More details:

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

4-{[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzenesulfonyl fluoride [ACD/IUPAC Name]
4-{[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-3H-purin-3-yl)propyl]carbamoyl}benzolsulfonylfluorid [German] [ACD/IUPAC Name]
8-cyclopentyl-3-(3-(4-fluorosulfonylbenzamido)propyl)-1-propylxanthine
Benzenesulfonyl fluoride, 4-[[[3-(8-cyclopentyl-1,2,6,7-tetrahydro-2,6-dioxo-1-propyl-3H-purin-3-yl)propyl]amino]carbonyl]- [ACD/Index Name]
Fluorure de 4-{[3-(8-cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tétrahydro-3H-purin-3-yl)propyl]carbamoyl}benzènesulfonyle [French] [ACD/IUPAC Name]
4-[3-(8-Cyclopentyl-2,6-dioxo-1-propyl-1,2,6,7-tetrahydro-purin-3-yl)-propylcarbamoyl]-benzenesulfonyl fluoride
CHEMBL321218
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL321218/

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: 1.588
Molar Refractivity: 124.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 2.55
ACD/BCF (pH 5.5): 50.82
ACD/KOC (pH 5.5): 578.91
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 49.67
ACD/KOC (pH 7.4): 565.80
Polar Surface Area: 141 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 370.0±3.0 cm3

Click to predict properties on the Chemicalize site


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