Basic information
- Standard SMILES
O=c1ccncn1-c1ccc2nc(N3CCC(N4CCCCC4)C3)sc2c1- InChIKey
GTIGHSIXWKDSBB-UHFFFAOYSA-N- Molecular formula
- C20H23N5OS
- Average molar mass
- 381.5 g/mol
Names & identifiers
- Preferred name
- 3-[2-(3-Piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazol-6-yl]pyrimidin-4-one
- IUPAC
- 3-[2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazol-6-yl]pyrimidin-4-one
Names & synonyms
SCHEMBL1094252
Database identifiers
- PubChem CID
- 66905565
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 619
Related reactions
1 records
Compound notes
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