Basic information
- Standard SMILES
O=c1cc(-c2cccc3c2Sc2ccc(O)cc2S3)oc(N2CCOCC2)c1- InChIKey
WMFZTAYARHLPEY-UHFFFAOYSA-N- Molecular formula
- C21H17NO4S2
- Average molar mass
- 411.5 g/mol
Names & identifiers
- Preferred name
- 2-(7-Hydroxy-thianthren-1-yl)-6-morpholin-4-yl-pyran-4-one
- IUPAC
- 2-(7-hydroxythianthren-1-yl)-6-morpholin-4-ylpyran-4-one
Names & synonyms
SCHEMBL3165946WMFZTAYARHLPEY-UHFFFAOYSA-N2-(7-Hydroxy-thianthren-1-yl)-6-morpholin-4-yl-pyran-4-one
Database identifiers
- PubChem CID
- 59797429
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 675
Related reactions
2 records
Compound notes
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