5-[(2,6-Dichlorophenyl)methylene]-2-(3-methylphenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Basic information
- CAS
842975-48-8- Standard SMILES
Cc1cccc(-c2nc3sc(=Cc4c(Cl)cccc4Cl)c(=O)n3n2)c1- InChIKey
CVGOEAMMKDSFNL-UHFFFAOYSA-N- Molecular formula
- C18H11Cl2N3OS
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 386.9999885
Names & identifiers
- Preferred name
- 5-[(2,6-Dichlorophenyl)methylene]-2-(3-methylphenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
- IUPAC
- 5-[(2,6-dichlorophenyl)methylidene]-2-(3-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
Names & synonyms
DTXSID5011211015-[(2,6-Dichlorophenyl)methylene]-2-(3-methylphenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one5-[(2,6-Dichlorophenyl)methylidene]-2-(3-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Database identifiers
- CAS
842975-48-8- PubChem CID
- 4220140
- DTXSID
DTXSID501121101
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 550
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…