Basic information
- CAS
875157-05-4- Standard SMILES
COc1cc(C=C2CS(=O)(=O)c3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl- InChIKey
PIVYMNCPWPJKLO-UHFFFAOYSA-N- Molecular formula
- C25H20ClNO6S
- Average molar mass
- 497.9 g/mol
- Monoisotopic mass
- 497.0699862
Names & identifiers
- Preferred name
- N-(2-Chlorophenyl)-2-[4-[(1,1-dioxido-4-oxo-2H-1-benzothiopyran-3(4H)-ylidene)methyl]-2-methoxyphenoxy]acetamide
- IUPAC
- N-(2-chlorophenyl)-2-[2-methoxy-4-[(1,1,4-trioxothiochromen-3-ylidene)methyl]phenoxy]acetamide
Names & synonyms
DTXSID501107521AKOS030692332875157-05-4N-(2-Chlorophenyl)-2-[4-[(1,1-dioxido-4-oxo-2H-1-benzothiopyran-3(4H)-ylidene)methyl]-2-methoxyphenoxy]acetamide
Database identifiers
- CAS
875157-05-4- PubChem CID
- 72077902
- DTXSID
DTXSID501107521
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 884
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…