Basic information
- Standard SMILES
CC(C)OCC(=O)NC[C@@H]1CNCCO[C@H]1c1ccc(Cl)c(F)c1.Cl- InChIKey
GRONTJLTJSLGRJ-KYLFUZKPSA-N- Molecular formula
- C17H25Cl2FN2O3
- Average molar mass
- 395.3 g/mol
Names & identifiers
- Preferred name
- N-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-2-(1-methylethoxy)acetamide monohydrochloride
- IUPAC
- N-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]-2-propan-2-yloxyacetamide;hydrochloride
Names & synonyms
CHEMBL4758692SCHEMBL1281126GRONTJLTJSLGRJ-KYLFUZKPSA-NN-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-2-(1-methylethoxy)acetamide monohydrochloride
Database identifiers
- PubChem CID
- 66976382
- ChEMBL
CHEMBL4758692
Properties
Computed structural properties
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 400
Related reactions
1 records
Compound notes
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