Basic information
- CAS
92264-45-4- Standard SMILES
COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(N(C)C(=O)C(F)(F)F)CC2- InChIKey
XSCLBZXALKPDOC-UHFFFAOYSA-N- Molecular formula
- C23H24F3NO5S
- Average molar mass
- 483.5 g/mol
- Monoisotopic mass
- 483.13272853
Names & identifiers
- Preferred name
- 2,2,2-trifluoro-N-methyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
- IUPAC
- 2,2,2-trifluoro-N-methyl-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide
Names & synonyms
NSC371805NSC-371805Acetamide,2,2-trifluoro-N-methyl-N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-
Database identifiers
- CAS
92264-45-4- PubChem CID
- 435532
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 869
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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