2-[(2-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
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Basic information
- CAS
332420-08-3- Standard SMILES
COc1ccc(C(C)=NNC(=O)CSCc2ccccc2Cl)cc1OC- InChIKey
NNDQYLCUWLXTSP-UHFFFAOYSA-N- Molecular formula
- C19H21ClN2O3S
- Average molar mass
- 392.9 g/mol
- Monoisotopic mass
- 392.0961414
Names & identifiers
- Preferred name
- 2-[(2-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
- IUPAC
- 2-[(2-chlorophenyl)methylsulfanyl]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
- English name
- 2-[(2-chlorobenzyl)sulfanyl]-N'-[1-(3,4-dimethoxyphenyl)ethylidene]acetohydrazide
- Molecular formula
- C19H21ClN2O3S
- Molecular weight
- 392.9
Names & synonyms
2-[(2-chlorobenzyl)sulfanyl]-N'-[1-(3,4-dimethoxyphenyl)ethylidene]acetohydrazide
Database identifiers
- CAS
332420-08-3- PubChem CID
- 3108749
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 478
Physicochemical properties
- Density
- 1.219 · 1.219±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.105 · 12.105±0.46(predicted)
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Compound notes
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