Basic information
- Standard SMILES
COc1ccc(N2CCOCC2)c2sc(NC(=O)c3ccnc(N4CCC(O)CC4)c3)nc12- InChIKey
GIWWSCFHWOSJJI-UHFFFAOYSA-N- Molecular formula
- C23H27N5O4S
- Average molar mass
- 469.6 g/mol
Names & identifiers
- Preferred name
- 2-(4-Hydroxy-piperidin-1-yl)-N-(4-Methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-isonicotinamide
- IUPAC
- 2-(4-hydroxypiperidin-1-yl)-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)pyridine-4-carboxamide
Names & synonyms
SCHEMBL5566883GIWWSCFHWOSJJI-UHFFFAOYSA-N2-(4-Hydroxy-piperidin-1-yl)-N-(4-Methoxy-7-morpholin-4-yl-benzothiazol-2-yl)-isonicotinamide
Database identifiers
- PubChem CID
- 22993431
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 661
Related reactions
2 records
Compound notes
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