2-[(4-Fluorobenzyl)thio]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-1-acetic Acid - CAS 356058-42-9
Catalog: |
BB022698 |
Product Name: |
2-[(4-Fluorobenzyl)thio]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-1-acetic Acid |
CAS: |
356058-42-9 |
Synonyms: |
2-[2-[(4-fluorophenyl)methylthio]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetic acid; 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetic acid |
IUPAC Name: | 2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetic acid |
Description: | 2-[(4-Fluorobenzyl)thio]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine-1-acetic Acid (CAS# 356058-42-9 ) is a useful research chemical. |
Molecular Weight: | 334.37 |
Molecular Formula: | C16H15FN2O3S |
Canonical SMILES: | C1CC2=C(C1)N(C(=NC2=O)SCC3=CC=C(C=C3)F)CC(=O)O |
InChI: | InChI=1S/C16H15FN2O3S/c17-11-6-4-10(5-7-11)9-23-16-18-15(22)12-2-1-3-13(12)19(16)8-14(20)21/h4-7H,1-3,8-9H2,(H,20,21) |
InChI Key: | DJGRXBDYBUKPOC-UHFFFAOYSA-N |
LogP: | 2.24800 |
Publication Number | Title | Priority Date |
WO-2019063634-A1 | DARAPLADIB RADIOMARQUÉ, ITS ANALOGUES AND THEIR USE AS IMAGING COMPOUNDS | 20170926 |
US-2020276337-A1 | Radiolabeled darapladib and analogs thereof and their use as imaging compounds | 20170926 |
WO-2015092687-A2 | Process for the purification of darapladib | 20131217 |
WO-2015087239-A1 | Processes for the preparation of darapladib and its intermediates | 20131211 |
EP-2725024-A1 | Azole heterocyclic compound, preparation method, pharmaceutical composition and use | 20110627 |
Complexity: | 568 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 334.07874168 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 334.07874168 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 95.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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