Basic information
- CAS
193965-37-6- Standard SMILES
COc1cccc2cc(-c3ccc(OCCN4CCCC4)cc3)sc12- InChIKey
RHKCRVXVVHZGCZ-UHFFFAOYSA-N- Molecular formula
- C21H23NO2S
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.14495015
Names & identifiers
- Preferred name
- 1-[2-[4-(7-Methoxybenzo[b]thien-2-yl)phenoxy]ethyl]pyrrolidine
- IUPAC
- 1-[2-[4-(7-methoxy-1-benzothiophen-2-yl)phenoxy]ethyl]pyrrolidine
Names & synonyms
SCHEMBL7445580DTXSID3011783181-[2-[4-(7-Methoxybenzo[b]thien-2-yl)phenoxy]ethyl]pyrrolidine193965-37-61-{2-[4-(7-Methoxy-1-benzothiophen-2-yl)phenoxy]ethyl}pyrrolidine
Database identifiers
- CAS
193965-37-6- PubChem CID
- 21183000
- DTXSID
DTXSID301178318
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 407
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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