Basic information
- CAS
378224-43-2- Standard SMILES
O=C(CSc1cc(Cl)ccc1Cl)NCCCn1ccnc1- InChIKey
WXEZZADWOPKCNP-UHFFFAOYSA-N- Molecular formula
- C14H15Cl2N3OS
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 343.0312887
Names & identifiers
- Preferred name
- 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide
- IUPAC
- 2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide
Names & synonyms
Enamine_0020922-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamideMLS001193352CHEMBL1305627DTXSID901323933HMS1399P02HMS2896J13AKOS034127342378224-43-2SMR000591988Z302174102-[(2,5-dichlorophenyl)sulfanyl]-N-[3-(1H-imidazol-1-yl)propyl]acetamide
Database identifiers
- CAS
378224-43-2- PubChem CID
- 4097364
- DTXSID
DTXSID901323933- ChEMBL
CHEMBL1305627
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 335
Experimental & physicochemical properties
Solubility45.3 [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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