3,4-Dihydro-N-[5-[(2-hydroxy-3-methoxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]-3-methyl-4-oxo-1-phthalazineacetamide
Basic information
- CAS
591212-76-9- Standard SMILES
COc1cccc(C=C2SC(=S)N(NC(=O)Cc3nn(C)c(=O)c4ccccc34)C2=O)c1O- InChIKey
XCYWLPONIGHSFC-UHFFFAOYSA-N- Molecular formula
- C22H18N4O5S2
- Average molar mass
- 482.5 g/mol
- Monoisotopic mass
- 482.07186203
Names & identifiers
- Preferred name
- 3,4-Dihydro-N-[5-[(2-hydroxy-3-methoxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]-3-methyl-4-oxo-1-phthalazineacetamide
- IUPAC
- N-[5-[(2-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
Names & synonyms
DTXSID0011036173,4-Dihydro-N-[5-[(2-hydroxy-3-methoxyphenyl)methylene]-4-oxo-2-thioxo-3-thiazolidinyl]-3-methyl-4-oxo-1-phthalazineacetamide591212-76-9
Database identifiers
- CAS
591212-76-9- PubChem CID
- 4455932
- DTXSID
DTXSID001103617
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 907
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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