Basic information
- CAS
878252-08-5- Standard SMILES
COc1ccc(OCCN(C)CC(=O)Nc2ccccc2SC)cc1- InChIKey
BPYRFEXGCKXRRL-UHFFFAOYSA-N- Molecular formula
- C19H24N2O3S
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.15076381
Names & identifiers
- Preferred name
- 2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
- IUPAC
- 2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
Names & synonyms
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(2-methylsulfanylphenyl)acetamideMLS001174091CHEMBL1522887DTXSID701326498HMS2924M03AKOS001213675878252-08-5SMR000595852Z46376834N~2~-[2-(4-Methoxyphenoxy)ethyl]-N~2~-methyl-N-[2-(methylsulfanyl)phenyl]glycinamide
Database identifiers
- CAS
878252-08-5- PubChem CID
- 9104897
- DTXSID
DTXSID701326498- ChEMBL
CHEMBL1522887
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 389
Experimental & physicochemical properties
Solubility21.2 [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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