Basic information
- Standard SMILES
CCn1c(=O)sc2cc(F)c(N3C(=O)C4CCCCN4C3=O)cc21- InChIKey
HPECNJUSTUFFFS-UHFFFAOYSA-N- Molecular formula
- C16H16FN3O3S
- Average molar mass
- 349.4 g/mol
Names & identifiers
- Preferred name
- 2-[3-ethyl-6-fluoro-2(3H)-benzothiazolon-5-yl]tetrahydroimidazo[1,5-a]-pyridine-1,3(2H,5H)-dione
- IUPAC
- 2-(3-ethyl-6-fluoro-2-oxo-1,3-benzothiazol-5-yl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
Names & synonyms
SCHEMBL9838750HPECNJUSTUFFFS-UHFFFAOYSA-N2-[3-ethyl-6-fluoro-2(3H)-benzothiazolon-5-yl]tetrahydroimidazo[1,5-a]-pyridine-1,3(2H,5H)-dione2-[3-ethyl-6-fluoro-2(3H)-benzothiazolon-5-yl]tetrahydroimidazo[1,5-a]pyridine-1,3(2H,5H)-dione2-[3-ethyl-6-fluoro-2(3H)-benzothiazolon-5yl]tetrahydroimidazo[1,5-a]-pyridine-1,3(2H,5H)-dione
Database identifiers
- PubChem CID
- 14014237
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 589
Related reactions
4 records
Compound notes
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