Pyrrolidine, 1-(2-(4-(7-methoxy-3-phenyl-1H-2-benzothiopyran-4-yl)phenoxy)ethyl)-, hydrochloride
Basic information
- CAS
36266-77-0- Standard SMILES
COc1ccc2c(c1)CSC(c1ccccc1)=C2c1ccc(OCCN2CCCC2)cc1.Cl- InChIKey
UOOZDEQMFHXJGG-UHFFFAOYSA-N- Molecular formula
- C28H30ClNO2S
- Average molar mass
- 480.1 g/mol
- Monoisotopic mass
- 479.1685781
Names & identifiers
- Preferred name
- Pyrrolidine, 1-(2-(4-(7-methoxy-3-phenyl-1H-2-benzothiopyran-4-yl)phenoxy)ethyl)-, hydrochloride
- IUPAC
- 1-[2-[4-(7-methoxy-3-phenyl-1H-isothiochromen-4-yl)phenoxy]ethyl]pyrrolidine;hydrochloride
Names & synonyms
36266-77-0Pyrrolidine, 1-(2-(4-(7-methoxy-3-phenyl-1H-2-benzothiopyran-4-yl)phenoxy)ethyl)-, hydrochloridePyrrolidine, 1-[2-[4-(7-methoxy-3-phenyl-1H-2-benzothiopyran-4-yl)phenoxy]ethyl]-, hydrochloride1-(2-(4-(7-Methoxy-3-phenyl-1H-2-benzothiopyran-4-yl)phenoxy)ethyl)pyrrolidine hydrochloride4F8UM58QW6DTXSID801898071-{2-[4-(7-Methoxy-3-phenyl-1H-2-benzothiopyran-4-yl)phenoxy]ethyl}pyrrolidine--hydrogen chloride (1/1)Pyrrolidine, 1-[2-[4-(7-methoxy-3-phenyl-1H-2-benzothiopyran-4-yl)phenoxy]ethyl]-, hydrochloride (1:1)
Database identifiers
- CAS
36266-77-0- PubChem CID
- 215788
- DTXSID
DTXSID80189807- UNII
- 4F8UM58QW6
Properties
Computed structural properties
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 617
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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