Basic information
- Standard SMILES
O=C(N1CCS(=O)CC1)N1CC(c2ccc(OC(F)F)cc2)CC(c2nc(C3CC3)no2)C1- InChIKey
QQBKGKITDYZLOY-UHFFFAOYSA-N- Molecular formula
- C22H26F2N4O4S
- Average molar mass
- 480.5 g/mol
Names & identifiers
- Preferred name
- {3-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(difluoromethoxy)phenyl]piperidin-1-yl}(1-oxidothiomorpholin-4-yl)methanone
- IUPAC
- [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(difluoromethoxy)phenyl]piperidin-1-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
Names & synonyms
{3-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-5-[4-(difluoromethoxy)phenyl]piperidin-1-yl}(1-oxidothiomorpholin-4-yl)methanoneSCHEMBL3764088
Database identifiers
- PubChem CID
- 59606592
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 713
Related reactions
2 records
Compound notes
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