Basic information
- Standard SMILES
COC(=O)Cc1ccccc1Cc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1- InChIKey
ATIAAWCBBJYNNF-UHFFFAOYSA-N- Molecular formula
- C18H18N2O6S
- Average molar mass
- 390.4 g/mol
Names & identifiers
- Preferred name
- {2-[3-Hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-benzyl]-phenyl}-acetic acid methyl ester
- IUPAC
- methyl 2-[2-[[3-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]phenyl]acetate
Names & synonyms
SCHEMBL2938403ATIAAWCBBJYNNF-UHFFFAOYSA-N{2-[3-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)-benzyl]-phenyl}-acetic acid methyl ester
Database identifiers
- PubChem CID
- 57777352
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 661
Related reactions
2 records
Compound notes
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