Basic information
- Standard SMILES
O=C1C(=O)c2ccccc2C2=C1SCC1(CCN(C[C@H](O)COc3ccc(Cl)cc3)CC1)O2- InChIKey
DXCCDRIOOXEVMR-KRWDZBQOSA-N- Molecular formula
- C25H24ClNO5S
- Average molar mass
- 486 g/mol
Names & identifiers
- Preferred name
- 1'-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]spiro[naphtho[1,2-b][1,4]oxathiine-2,4'-piperidine]-5,6-dione
- IUPAC
- 1'-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]spiro[3H-benzo[h][1,4]benzoxathiine-2,4'-piperidine]-5,6-dione
Names & synonyms
SCHEMBL415650DXCCDRIOOXEVMR-KRWDZBQOSA-N1'-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]spiro[naphtho[1,2-b][1,4]oxathiine-2,4'-piperidine]-5,6-dione
Database identifiers
- PubChem CID
- 23654875
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 788
Related reactions
1 records
Compound notes
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