544417-40-5
Product Name:
CAPADENOSON
Formula:
C25H18ClN5O2S2
Synonyms:
2-Amino-6-[[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]sulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile;2-Amino-6-[[[2-(4-chlorophenyl)-4-thiazolyl]methyl]thio]-4-[4-(2-hydroxyethoxy)phenyl]-3,5-pyridinedicarbonitrile;BAY 68-4986;BAY-68-4986;BAY68-4986
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COMPUTED DESCRIPTORS
| Molecular Weight | 520.0 g/mol |
|---|---|
| XLogP3 | 5.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 519.0590449 g/mol |
| Monoisotopic Mass | 519.0590449 g/mol |
| Topological Polar Surface Area | 182 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 774 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Capadenoson is under investigation in clinical trial NCT00518921 (Capadenoson in Angina Pectoris).