Basic information
- Standard SMILES
Cc1ccc(C(=O)Nc2c(NC(=O)CN3CCSCC3)ccc3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
TZYABSSOMURSRW-UHFFFAOYSA-N- Molecular formula
- C28H25N3O4S
- Average molar mass
- 499.6 g/mol
Names & identifiers
- Preferred name
- 1-(4-Methylbenzamido)-2-[2-(1,4-thiazinan-4-yl)acetylamino]-anthraquinone
- IUPAC
- N-[9,10-dioxo-2-[(2-thiomorpholin-4-ylacetyl)amino]anthracen-1-yl]-4-methylbenzamide
Names & synonyms
SCHEMBL2269876CHEMBL1927897TZYABSSOMURSRW-UHFFFAOYSA-N1-(4-methylbenzamido)-2-[2-(1,4-thiazinan-4-yl)acetylamino]-anthraquinone
Database identifiers
- PubChem CID
- 53374688
- ChEMBL
CHEMBL1927897
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 852
Related reactions
2 records
Compound notes
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