Basic information
- Standard SMILES
CC(C#N)C=Cc1ccc(N2CC(=O)NS2(=O)=O)c(OCc2ccccc2)c1- InChIKey
JRWMTJGLHRHRMT-UHFFFAOYSA-N- Molecular formula
- C20H19N3O4S
- Average molar mass
- 397.4 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-4-[3-phenylmethoxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]but-3-enenitrile
- IUPAC
- 2-methyl-4-[3-phenylmethoxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]but-3-enenitrile
Names & synonyms
SCHEMBL4126111
Database identifiers
- PubChem CID
- 68922600
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 730
Related reactions
1 records
Compound notes
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