5-(3-Methyl-3H-benzotriazol-5-ylmethylene)-thiazolidine-2,4-dione
Basic information
- Standard SMILES
Cn1nnc2ccc(C=C3SC(=O)NC3=O)cc21- InChIKey
HVJWQLAGCAWLJK-UHFFFAOYSA-N- Molecular formula
- C11H8N4O2S
- Average molar mass
- 260.27 g/mol
- Monoisotopic mass
- 260.03679668
Names & identifiers
- Preferred name
- 5-(3-Methyl-3H-benzotriazol-5-ylmethylene)-thiazolidine-2,4-dione
- IUPAC
- 5-[(3-methylbenzotriazol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
Names & synonyms
SCHEMBL2883687HVJWQLAGCAWLJK-UHFFFAOYSA-N5-(3-Methyl-3H-benzotriazol-5-ylmethylene)-thiazolidine-2,4-dione
Database identifiers
- PubChem CID
- 73097183
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 425
Related reactions
2 records
Compound notes
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