Basic information
- CAS
113981-17-2- Standard SMILES
Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc([18F])cc3)CC1)CCS2- InChIKey
RBGAHDDQSRBDOG-KVTPGWOSSA-N- Molecular formula
- C21H24FN3O2S
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.159861
Names & identifiers
- Preferred name
- (18F)Setoperone
- IUPAC
- 6-[2-[4-(4-(18F)fluorobenzoyl)piperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Names & synonyms
(18F)SetoperoneSetoperone F-18JOQ8SWH63JUNII-JOQ8SWH63J113981-17-25H-Thiazolo(3,2-a)pyrimidin-5-one, 6-(2-(4-(4-(fluoro-18F)benzoyl)-1-piperidinyl)ethyl)-2,3-dihydro-7-methyl-6-(2-(4-(4-(Fluoro-18F)benzoyl)-1-piperidinyl)ethyl)-2,3-dihydro-7-methyl-5H-thiazolo(3,2-a)pyrimidin-5-oneCHEMBL5206490MOLI000146MOLI001680
Database identifiers
- CAS
113981-17-2- PubChem CID
- 449749
- ChEMBL
CHEMBL5206490- UNII
- JOQ8SWH63J
- Nikkaji
- J3.355.527J
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 692
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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