2-(3,4-dimethoxyphenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide
Basic information
- CAS
566164-75-8- Standard SMILES
COc1ccc(CC(=O)Nc2ccc3nc(SC)sc3c2)cc1OC- InChIKey
YDQVZPRSNDNRES-UHFFFAOYSA-N- Molecular formula
- C18H18N2O3S2
- Average molar mass
- 374.5 g/mol
- Monoisotopic mass
- 374.07588479
Names & identifiers
- Preferred name
- 2-(3,4-dimethoxyphenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide
- IUPAC
- 2-(3,4-dimethoxyphenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamide
Names & synonyms
2-(3,4-dimethoxyphenyl)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)acetamideMLS001033842CHEMBL1458696DTXSID401325922HMS2726F16AKOS034047451566164-75-8SMR000385791Z283411132-(3,4-dimethoxyphenyl)-N-[2-(methylsulfanyl)-1,3-benzothiazol-6-yl]acetamide
Database identifiers
- CAS
566164-75-8- PubChem CID
- 2102610
- DTXSID
DTXSID401325922- ChEMBL
CHEMBL1458696
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 454
Experimental & physicochemical properties
Solubility34.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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