Basic information
- CAS
240404-10-8- Standard SMILES
O=C1c2ccsc2CC1CCN1CCC(c2noc3cc(F)ccc23)CC1- InChIKey
GLTGLCASRVOFGP-UHFFFAOYSA-N- Molecular formula
- C21H21FN2O2S
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.13077725
Overview
selective for D2, 5-HT(2A), and 5-HT(2C) receptors; structure in first source
Names & identifiers
- Preferred name
- QF-0510B
- IUPAC
- 5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-one
Names & synonyms
QF-0510BH4888U129F240404-10-8QF 0510B4H-Cyclopenta(b)thiophen-4-one, 5-(2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)ethyl)-5,6-dihydro-RefChem:930429UNII-H4888U129FCHEMBL554199N-((4-oxo-4H-5,6-dihydrocyclopenta(b)thiophene-5-yl)ethyl)-4-(6-fluorobenzisoxazol-3-yl)piperidineQF-05IOBCHEMBL263790BDBM50472325
Show more names
5-[2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-5,6-dihydrocyclopenta[b]thiophen-4-oneQ27279624
Database identifiers
- CAS
240404-10-8- PubChem CID
- 10072800
- ChEMBL
CHEMBL263790、CHEMBL554199- UNII
- H4888U129F
- Nikkaji
- J1.158.491H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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