Basic information
- Standard SMILES
O=C1CCN(c2ccccc2)N1CN1C(=O)c2ccccc2S1(=O)=O- InChIKey
VETWVOIEUJWEGS-UHFFFAOYSA-N- Molecular formula
- C17H15N3O4S
- Average molar mass
- 357.4 g/mol
Names & identifiers
- Preferred name
- N-(1-phenyl-3-pyrazolidinone-2-ylmethyl)saccharin
- IUPAC
- 1,1-dioxo-2-[(5-oxo-2-phenylpyrazolidin-1-yl)methyl]-1,2-benzothiazol-3-one
Names & synonyms
SCHEMBL10907440VETWVOIEUJWEGS-UHFFFAOYSA-NN-(1-phenyl-3-pyrazolidinone-2-ylmethyl)saccharin
Database identifiers
- PubChem CID
- 20224974
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 653
Related reactions
1 records
Compound notes
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