Basic information
- Standard SMILES
CCCCC[C@@H](CCC1SCC(=O)N1CCCCCCC(=O)OC)OC(C)=O- InChIKey
KHLISYBBCWSXSV-LROBGIAVSA-N- Molecular formula
- C21H37NO5S
- Average molar mass
- 415.6 g/mol
Names & identifiers
- Preferred name
- methyl 7-[2-(3(S)-acetyloxyoctyl)-4-oxo-3-thiazolidinyl]heptanoate
- IUPAC
- methyl 7-[2-[(3S)-3-acetyloxyoctyl]-4-oxo-1,3-thiazolidin-3-yl]heptanoate
Names & synonyms
SCHEMBL11660623KHLISYBBCWSXSV-LROBGIAVSA-Nmethyl 7-[2-(3(S)-acetyloxyoctyl)-4-oxo-3-thiazolidinyl]heptanoate
Database identifiers
- PubChem CID
- 22800258
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 17
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 485
Related reactions
1 records
Compound notes
Loading…