Basic information
- Standard SMILES
CC(C)c1cc(OCC(=O)OCc2ccccc2)cc2c1C(=O)N(CSc1ccccc1)S2(=O)=O- InChIKey
JNDOWFZBBXQLAH-UHFFFAOYSA-N- Molecular formula
- C26H25NO6S2
- Average molar mass
- 511.6 g/mol
- Monoisotopic mass
- 511.11232986
Names & identifiers
- Preferred name
- 4-Isopropyl-6-(benzyloxycarbonylmethoxy)-2-phenylthiomethylsaccharin
- IUPAC
- benzyl 2-[[1,1,3-trioxo-2-(phenylsulfanylmethyl)-4-propan-2-yl-1,2-benzothiazol-6-yl]oxy]acetate
Names & synonyms
SCHEMBL7008983JNDOWFZBBXQLAH-UHFFFAOYSA-N4-isopropyl-6-(benzyloxycarbonylmethoxy)-2-phenylthiomethylsaccharin
Database identifiers
- PubChem CID
- 69959543
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 829
Related reactions
2 records
Compound notes
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