Basic information
- CAS
27700-43-2- Standard SMILES
O=C(c1ccc(NC(O)C(=O)c2ccc(Sc3ccccc3)cc2)cc1)C(Cl)Cl- InChIKey
PAYGTVAPNYYYMC-UHFFFAOYSA-N- Molecular formula
- C22H17Cl2NO3S
- Average molar mass
- 446.3 g/mol
- Monoisotopic mass
- 445.03062
Names & identifiers
- Preferred name
- Ethanone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-(4-(phenylthio)phenyl)-
- IUPAC
- 2-[4-(2,2-dichloroacetyl)anilino]-2-hydroxy-1-(4-phenylsulfanylphenyl)ethanone
Names & synonyms
BRN 27862442-((4-(Dichloroacetyl)phenyl)amino)-2-hydroxy-1-(4-(phenylthio)phenyl)ethanone27700-43-2Ketone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-(4-(phenylthio)phenyl)-Ethanone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-(4-(phenylthio)phenyl)-RefChem:341334DTXSID809503772,2-Dichloro-1-[4-({1-hydroxy-2-oxo-2-[4-(phenylsulfanyl)phenyl]ethyl}amino)phenyl]ethan-1-one
Database identifiers
- CAS
27700-43-2- PubChem CID
- 33995
- DTXSID
DTXSID80950377
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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