Basic information
- Standard SMILES
CCc1ccc(C2CC(c3nc(C4CC4)no3)CN(C(=O)N3CCSCC3)C2)cc1- InChIKey
NXCNZXNQEHBYGO-UHFFFAOYSA-N- Molecular formula
- C23H30N4O2S
- Average molar mass
- 426.6 g/mol
- Monoisotopic mass
- 426.20894739
Names & identifiers
- Preferred name
- [3-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl](thiomorpholin-4-yl)methanone
- IUPAC
- [3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl]-thiomorpholin-4-ylmethanone
Names & synonyms
SCHEMBL3753199NXCNZXNQEHBYGO-UHFFFAOYSA-N[3-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl](thiomorpholin-4-yl)-methanone[3-(3-Cyclopropyl-1,2,4-oxadiazol-5-yl)-5-(4-ethylphenyl)piperidin-1-yl](thiomorpholin-4-yl)methanone
Database identifiers
- PubChem CID
- 59606584
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 87.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 590
Related reactions
2 records
Compound notes
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