2-Butyl-6-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Basic information
- CAS
5824-83-9- Standard SMILES
CCCCC1=NN2C(=N)C(=Cc3ccc(OCCOc4ccc(C)cc4C)cc3)C(=O)N=C2S1- InChIKey
AICXFSFVCWBKII-UHFFFAOYSA-N- Molecular formula
- C26H28N4O3S
- Average molar mass
- 476.6 g/mol
- Monoisotopic mass
- 476.18821194
Names & identifiers
- Preferred name
- 2-Butyl-6-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
- IUPAC
- 2-butyl-6-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Names & synonyms
5824-83-9AC1NQI2KDTXSID304111252-Butyl-6-({4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl}methylidene)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Database identifiers
- CAS
5824-83-9- PubChem CID
- 5222083
- DTXSID
DTXSID30411125
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 847
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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