Basic information
- Standard SMILES
COCCc1noc(C2CC(c3ccc(OC(F)(F)F)cc3)CN(C(=O)N3CCSCC3)C2)n1- InChIKey
LJMGSMBQKJHRHA-UHFFFAOYSA-N- Molecular formula
- C22H27F3N4O4S
- Average molar mass
- 500.5 g/mol
Names & identifiers
- Preferred name
- {3-[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl}-(thiomorpholin-4-yl)methanone
- IUPAC
- [3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-thiomorpholin-4-ylmethanone
Names & synonyms
{3-[3-(2-Methoxyethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl}-(thiomorpholin-4-yl)methanoneSCHEMBL3762077
Database identifiers
- PubChem CID
- 59606572
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 663
Related reactions
2 records
Compound notes
Loading…