Basic information
- Standard SMILES
CC1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCNCC4)c(F)c3n21- InChIKey
XXRGFNWRQGGKQD-UHFFFAOYSA-N- Molecular formula
- C16H15F2N3O3S
- Average molar mass
- 367.4 g/mol
Names & identifiers
- Preferred name
- 6,8-Difluoro-1-methyl-4-oxo-7-(1-piperazinyl)-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
- IUPAC
- 6,8-difluoro-1-methyl-4-oxo-7-piperazin-1-yl-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
Names & synonyms
SCHEMBL9673120XXRGFNWRQGGKQD-UHFFFAOYSA-N6,8-Difluoro-1-methyl-4-oxo-7-(1-piperazinyl)-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 10248380
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 640
Related reactions
2 records
Compound notes
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