2-cyano-2-[3-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)isoindol-1-ylidene]-N-(3-methylphenyl)acetamide
Basic information
- CAS
79694-44-3- Standard SMILES
Cc1cccc(NC(=O)C(C#N)=C2N=C(c3c(O)n(-c4ccccc4)c(=O)[nH]c3=O)c3ccccc32)c1- InChIKey
KJOJVYYOBSNCMY-UHFFFAOYSA-N- Molecular formula
- C28H19N5O4
- Average molar mass
- 489.5 g/mol
- Monoisotopic mass
- 489.1437041
Names & identifiers
- Preferred name
- 2-cyano-2-[3-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)isoindol-1-ylidene]-N-(3-methylphenyl)acetamide
- IUPAC
- 2-cyano-2-[3-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)isoindol-1-ylidene]-N-(3-methylphenyl)acetamide
Names & synonyms
KSRXHIIGJKQXBQ-UHFFFAOYSA-NDTXSID001102045NS00062045
Database identifiers
- CAS
79694-44-3- PubChem CID
- 3018855
- DTXSID
DTXSID001102045
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 1,120
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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