{3-[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl}(1-oxidothiomorpholin-4-yl)methanone
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Basic information
- Standard SMILES
COCCc1noc(C2CC(c3ccc(CC(F)(F)F)cc3)CN(C(=O)N3CCS(=O)CC3)C2)n1- InChIKey
PJESFLBMXGDHPH-UHFFFAOYSA-N- Molecular formula
- C23H29F3N4O4S
- Average molar mass
- 514.6 g/mol
Names & identifiers
- Preferred name
- {3-[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl}(1-oxidothiomorpholin-4-yl)methanone
- IUPAC
- [3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
Names & synonyms
{3-[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(2,2,2-trifluoroethyl)phenyl]piperidin-1-yl}(1-oxidothiomorpholin-4-yl)methanoneSCHEMBL3761448
Database identifiers
- PubChem CID
- 59606567
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 728
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Related reactions
5 records
Compound notes
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