[1,1,3-Trioxo-6-(2-oxo-2-phenylmethoxyethoxy)-4-propan-2-yl-1,2-benzothiazol-2-yl]methyl 2,6-dichlorobenzoate
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Basic information
- Standard SMILES
CC(C)c1cc(OCC(=O)OCc2ccccc2)cc2c1C(=O)N(COC(=O)c1c(Cl)cccc1Cl)S2(=O)=O- InChIKey
PFRHUUYFPIMUEX-UHFFFAOYSA-N- Molecular formula
- C27H23Cl2NO8S
- Average molar mass
- 592.4 g/mol
Names & identifiers
- Preferred name
- [1,1,3-Trioxo-6-(2-oxo-2-phenylmethoxyethoxy)-4-propan-2-yl-1,2-benzothiazol-2-yl]methyl 2,6-dichlorobenzoate
- IUPAC
- [1,1,3-trioxo-6-(2-oxo-2-phenylmethoxyethoxy)-4-propan-2-yl-1,2-benzothiazol-2-yl]methyl 2,6-dichlorobenzoate
Names & synonyms
SCHEMBL7280505
Database identifiers
- PubChem CID
- 70044528
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 986
Related reactions
1 records
Compound notes
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