6-[[3-Ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylene]-5,6-dihydro-5-imino-3-phenyl-7H-thiazolo[3,2-a]pyrimidin-7-one
Basic information
- CAS
381716-28-5- Standard SMILES
CCOc1cc(C=C2C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1OCc1ccccc1C- InChIKey
DSGHDJGLAVQQSG-UHFFFAOYSA-N- Molecular formula
- C29H25N3O3S
- Average molar mass
- 495.6 g/mol
- Monoisotopic mass
- 495.16166284
Names & identifiers
- Preferred name
- 6-[[3-Ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylene]-5,6-dihydro-5-imino-3-phenyl-7H-thiazolo[3,2-a]pyrimidin-7-one
- IUPAC
- 6-[[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylidene]-5-imino-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Names & synonyms
DTXSID001104996381716-28-56-[[3-Ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylene]-5,6-dihydro-5-imino-3-phenyl-7H-thiazolo[3,2-a]pyrimidin-7-one
Database identifiers
- CAS
381716-28-5- PubChem CID
- 3713624
- DTXSID
DTXSID001104996
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 923
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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