Basic information
- Standard SMILES
CC(C)(C)CCN1C(=O)[C@H](CC(=O)O)SC1c1cccc(F)c1NCCN1CCCCC1- InChIKey
URNWIMGLTVAGMA-HSTJUUNISA-N- Molecular formula
- C24H36FN3O3S
- Average molar mass
- 465.6 g/mol
Names & identifiers
- Preferred name
- 2-((5S)-2-(2-(2-(piperidin-1-yl)ethylamino)-3-fluorophenyl)-3-(3,3-dimethylbutyl)-4-oxothiazolidin-5-yl)acetic acid
- IUPAC
- 2-[(5S)-3-(3,3-dimethylbutyl)-2-[3-fluoro-2-(2-piperidin-1-ylethylamino)phenyl]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Names & synonyms
SCHEMBL2101994URNWIMGLTVAGMA-HSTJUUNISA-N2-((5S)-2-(2-(2-(piperidin-1-yl)ethylamino)-3-fluorophenyl)-3-(3,3-dimethylbutyl)-4-oxothiazolidin-5-yl)acetic acid
Database identifiers
- PubChem CID
- 57774371
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 638
Related reactions
3 records
Compound notes
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