ChemSpider 2D Image | Elinogrel | C20H15ClFN5O5S2


  • Molecular FormulaC20H15ClFN5O5S2
  • Average mass523.945 Da
  • Monoisotopic mass523.018738 Da
  • ChemSpider ID17226246

More details:

Featured data source

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

2-Thiophenesulfonamide, 5-chloro-N-[[[4-[6-fluoro-1,4-dihydro-7-(methylamino)-2,4-dioxo-3(2H)-quinazolinyl]phenyl]amino]carbonyl]- [ACD/Index Name]
5-Chlor-N-({4-[6-fluor-7-(methylamino)-2,4-dioxo-1,4-dihydro-3(2H)-chinazolinyl]phenyl}carbamoyl)-2-thiophensulfonamid [German] [ACD/IUPAC Name]
5-Chloro-N-({4-[6-fluoro-7-(methylamino)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]phenyl}carbamoyl)-2-thiophenesulfonamide [ACD/IUPAC Name]
5-Chloro-N-({4-[6-fluoro-7-(méthylamino)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]phényl}carbamoyl)-2-thiophènesulfonamide [French] [ACD/IUPAC Name]
936500-94-6 [RN]
Elinogrel [Spanish] [INN]
élinogrel [French] [INN]
Elinogrelum [Latin] [INN]

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

915Y8E749J [DBID]
PRT 060128 [DBID]
UNII:915Y8E749J [DBID]
UNII-915Y8E749J [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      7-TM Receptors Tocris Bioscience 5316
      P2Y12 antagonist Tocris Bioscience 5316
      P2Y12 antagonist; exhibits antiplatelet activity. Tocris Bioscience 5316
      Purinergic P2Y Receptors Tocris Bioscience 5316

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.706
Molar Refractivity: 123.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 4.32
ACD/KOC (pH 5.5): 33.10
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 2.09
ACD/KOC (pH 7.4): 15.98
Polar Surface Area: 173 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 77.3±3.0 dyne/cm
Molar Volume: 317.2±3.0 cm3

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