2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
Basic information
- CAS
494756-28-4- Standard SMILES
CCOc1c(Cl)cc(C=NNC(=O)CSc2nc3ccccc3s2)cc1OC- InChIKey
PCTMWISHYFQECK-UHFFFAOYSA-N- Molecular formula
- C19H18ClN3O3S2
- Average molar mass
- 436 g/mol
Names & identifiers
- Preferred name
- 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
- IUPAC
- 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]acetamide
- English name
- 2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chloro-4-ethoxy-5-methoxybenzylidene)acetohydrazide
- Molecular formula
- C19H18ClN3O3S2
- Molecular weight
- 435.95
Names & synonyms
2-(1,3-benzothiazol-2-ylsulfanyl)-N'-(3-chloro-4-ethoxy-5-methoxybenzylidene)acetohydrazideAcetic acid, 2-(2-benzothiazolylthio)-, 2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylene]hydrazide
Database identifiers
- CAS
494756-28-4
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 543
Physicochemical properties
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 11.36 · 11.36±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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