Basic information
- Standard SMILES
COC1=C(OC)C(=O)C(Cc2ccc(C(=O)N3CCSCC3)cc2)=C(C)C1=O- InChIKey
GAYAEESUHTVROR-UHFFFAOYSA-N- Molecular formula
- C21H23NO5S
- Average molar mass
- 401.5 g/mol
Names & identifiers
- Preferred name
- N-[4-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-ylmethyl)benzoyl]thiomorpholine
- IUPAC
- 2,3-dimethoxy-5-methyl-6-[[4-(thiomorpholine-4-carbonyl)phenyl]methyl]cyclohexa-2,5-diene-1,4-dione
Names & synonyms
SCHEMBL5731269GAYAEESUHTVROR-UHFFFAOYSA-NN-[4-(5,6-dimethoxy-3-methyl-1,4-benzoquinon-2-ylmethyl)benzoyl]thiomorpholine
Database identifiers
- PubChem CID
- 9822366
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 712
Related reactions
2 records
Compound notes
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