1'-(3-Chlorobenzoyl)-9-methoxyspiro[naphtho[1,2-b][1,4]oxathiine-2,4'-piperidine]-5,6-dione
Basic information
- Standard SMILES
COc1ccc2c(c1)C1=C(SCC3(CCN(C(=O)c4cccc(Cl)c4)CC3)O1)C(=O)C2=O- InChIKey
HWORJVYBIUDOKY-UHFFFAOYSA-N- Molecular formula
- C24H20ClNO5S
- Average molar mass
- 469.9 g/mol
Names & identifiers
- Preferred name
- 1'-(3-Chlorobenzoyl)-9-methoxyspiro[naphtho[1,2-b][1,4]oxathiine-2,4'-piperidine]-5,6-dione
- IUPAC
- 1'-(3-chlorobenzoyl)-9-methoxyspiro[3H-benzo[h][1,4]benzoxathiine-2,4'-piperidine]-5,6-dione
Names & synonyms
SCHEMBL2530791HWORJVYBIUDOKY-UHFFFAOYSA-N1'-(3-chlorobenzoyl)-9-methoxyspiro[naphtho[1,2-b][1,4]oxathiine-2,4'-piperidine]-5,6-dione
Database identifiers
- PubChem CID
- 57662002
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 836
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Related reactions
2 records
Compound notes
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