Basic information
- Standard SMILES
COc1ccc(OCc2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)s2)cc1OC- InChIKey
FRDXRBOZSRZQCK-AWEZNQCLSA-N- Molecular formula
- C20H27N3O5S
- Average molar mass
- 421.5 g/mol
Names & identifiers
- Preferred name
- (S)-t-Butyl 2-(5-((3,4-dimethoxyphenoxy)methyl)-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl (2S)-2-[5-[(3,4-dimethoxyphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL15417979FRDXRBOZSRZQCK-AWEZNQCLSA-N(S)-t-Butyl 2-(5-((3,4-dimethoxyphenoxy)methyl)-1,3,4-thiadiazol-2-yl)pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 86706771
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 547
Related reactions
1 records
Compound notes
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