Basic information
- CAS
494756-78-4- Standard SMILES
COc1ccc(C=NNC(=O)CSc2nc3ccccc3s2)cc1OCc1ccccc1Cl- InChIKey
JQFKKMBJSXNKEU-UHFFFAOYSA-N- Molecular formula
- C24H20ClN3O3S2
- Average molar mass
- 498 g/mol
- Monoisotopic mass
- 497.0634615
Names & identifiers
- Preferred name
- 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]acetamide
- IUPAC
- 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]acetamide
- English name
- 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-{3-[(2-chlorobenzyl)oxy]-4-methoxybenzylidene}acetohydrazide
- Molecular formula
- C24H20ClN3O3S2
- Molecular weight
- 498.02
Names & synonyms
2-[(1,3-benzothiazol-2-yl)sulfanyl]-N'-({3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl}methylidene)acetohydrazide2-(1,3-benzothiazol-2-ylsulfanyl)-N'-{3-[(2-chlorobenzyl)oxy]-4-methoxybenzylidene}acetohydrazide
Database identifiers
- CAS
494756-78-4- PubChem CID
- 1737709
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 658
Physicochemical properties
- Density
- 1.359 · 1.359±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.591 · 11.591±0.46(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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