Basic information
- Standard SMILES
CCOCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1.Cl- InChIKey
LWVCZJGIOJWYJM-MIRNQTQTSA-N- Molecular formula
- C16H23Cl2FN2O3
- Average molar mass
- 381.3 g/mol
Names & identifiers
- Preferred name
- N-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-2-ethoxyacetamide monohydrochloride
- IUPAC
- N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]-2-ethoxyacetamide;hydrochloride
Names & synonyms
CHEMBL4745694SCHEMBL1281118LWVCZJGIOJWYJM-MIRNQTQTSA-NN-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-2-ethoxyacetamide monohydrochloride
Database identifiers
- PubChem CID
- 66976374
- ChEMBL
CHEMBL4745694
Properties
Computed structural properties
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 375
Related reactions
1 records
Compound notes
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