Basic information
- CAS
7067-67-6- Standard SMILES
COc1cc(C2C(=C(O)c3c(C)nc4ccccn34)C(=O)C(=O)N2c2nnc(SCc3cccc4ccccc34)s2)cc(Br)c1O- InChIKey
CXRWEEODYHVSMA-UHFFFAOYSA-N- Molecular formula
- C33H24BrN5O5S2
- Average molar mass
- 714.6 g/mol
- Monoisotopic mass
- 713.04022
Names & identifiers
- Preferred name
- 5-(3-Bromo-4-hydroxy-5-methoxyphenyl)-4-[hydroxy(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-1-(5-{[(naphthalen-1-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
- IUPAC
- 5-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-[hydroxy-(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-1-[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2,3-dione
Names & synonyms
7067-67-6DTXSID904148145-(3-Bromo-4-hydroxy-5-methoxyphenyl)-4-[hydroxy(2-methylimidazo[1,2-a]pyridin-3-yl)methylidene]-1-(5-{[(naphthalen-1-yl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)pyrrolidine-2,3-dione
Database identifiers
- CAS
7067-67-6- PubChem CID
- 5269986
- DTXSID
DTXSID90414814
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,180
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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