Basic information
- CAS
1869118-26-2- Standard SMILES
CC[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1/C([O-])=C/[S+](C)(C)=O- InChIKey
JBSDYKUHAKGYCH-CVEARBPZSA-N- Molecular formula
- C18H25NO4S
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.15042945
Names & identifiers
- Preferred name
- CID 165367239
Names & synonyms
DTXSID601106633
Database identifiers
- CAS
1869118-26-2- PubChem CID
- 165367239
- DTXSID
DTXSID601106633
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…