Basic information
- Standard SMILES
Cc1cnc(N2CCN(C(=O)c3ccc(N4C[C@H](C)CS4(=O)=O)cc3F)CC2)c(C)c1- InChIKey
SRLKXEWRGBAZOR-INIZCTEOSA-N- Molecular formula
- C22H27FN4O3S
- Average molar mass
- 446.5 g/mol
- Monoisotopic mass
- 446.17879007
Names & identifiers
- Preferred name
- (S)-[4-(3,5-dimethylpyridin-2-yl)piperazin-1-yl][2-fluoro-4-(4-methyl-1,1-dioxo-1lambda6-isothiazolidin-2-yl)phenyl]methanone
- IUPAC
- [4-(3,5-dimethyl-2-pyridinyl)piperazin-1-yl]-[2-fluoro-4-[(4S)-4-methyl-1,1-dioxo-1,2-thiazolidin-2-yl]phenyl]methanone
Names & synonyms
SCHEMBL14686791SRLKXEWRGBAZOR-INIZCTEOSA-N(S)-[4-(3,5-dimethylpyridin-2-yl)piperazin-1-yl][2-fluoro-4-(4-methyl-1,1-dioxo-1lambda6-isothiazolidin-2-yl)phenyl]methanone
Database identifiers
- PubChem CID
- 71252148
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 752
Related reactions
1 records
Compound notes
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