Benzoic acid, 4-((3-(1H-imidazol-1-ylacetyl)-2-thiazolidinyl)methoxy)-, hydrochloride, hydrate (1:1:2)
Basic information
- CAS
161364-53-0- Standard SMILES
Cl.O=C(O)c1ccc(OCC2SCCN2C(=O)Cn2ccnc2)cc1- InChIKey
CTHCMPLOYKYWIL-UHFFFAOYSA-N- Molecular formula
- C16H18ClN3O4S
- Average molar mass
- 383.9 g/mol
- Monoisotopic mass
- 383.0706549
Names & identifiers
- Preferred name
- Benzoic acid, 4-((3-(1H-imidazol-1-ylacetyl)-2-thiazolidinyl)methoxy)-, hydrochloride, hydrate (1:1:2)
- IUPAC
- 4-[[3-(2-imidazol-1-ylacetyl)-1,3-thiazolidin-2-yl]methoxy]benzoic acid;hydrochloride
Names & synonyms
161364-53-0Benzoic acid, 4-((3-(1H-imidazol-1-ylacetyl)-2-thiazolidinyl)methoxy)-, hydrochloride, hydrate (1:1:2)RefChem:327318CHEMBL539071DTXSID409364954-({3-[(1H-Imidazol-1-yl)acetyl]-1,3-thiazolidin-2-yl}methoxy)benzoic acid--hydrogen chloride (1/1)
Database identifiers
- CAS
161364-53-0- PubChem CID
- 3074744
- DTXSID
DTXSID40936495- ChEMBL
CHEMBL539071
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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