Basic information
- Standard SMILES
CS(=O)(=O)N1Cc2ccccc2C[C@H]1CCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1- InChIKey
RPYSAMBRXDFMSF-QGZVFWFLSA-N- Molecular formula
- C20H23N3O6S2
- Average molar mass
- 465.5 g/mol
Names & identifiers
- Preferred name
- 5-{2-Hydroxy-4-[2-((R)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)-ethyl]-phenyl}-1,1-dioxo-1,2,5-thiadiazolidin-3-one
- IUPAC
- 5-[2-hydroxy-4-[2-[(3R)-2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]ethyl]phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Names & synonyms
SCHEMBL3224513RPYSAMBRXDFMSF-QGZVFWFLSA-N5-{2-Hydroxy-4-[2-((R)-2-methanesulfonyl-1,2,3,4-tetrahydroisoquinolin-3-yl)-ethyl]-phenyl}-1,1-dioxo-1,2,5-thiadiazolidin-3-one
Database identifiers
- PubChem CID
- 57777422
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 882
Related reactions
1 records
Compound notes
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