Basic information
- Standard SMILES
COC(=O)c1cccn(C[C@@H]2CNCCO[C@H]2c2ccc(Cl)c(F)c2)c1=O.Cl- InChIKey
DKYROPSEFKOOAQ-KYLFUZKPSA-N- Molecular formula
- C19H21Cl2FN2O4
- Average molar mass
- 431.3 g/mol
Names & identifiers
- Preferred name
- methyl 1-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-2-oxo-1,2-dihydropyridine-3-carboxylate monohydrochloride
- IUPAC
- methyl 1-[[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl]-2-oxopyridine-3-carboxylate;hydrochloride
Names & synonyms
CHEMBL3818901SCHEMBL1279844DKYROPSEFKOOAQ-KYLFUZKPSA-Nmethyl 1-{[(6S,7R)-7-(4-chloro-3-fluorophenyl)-1,4-oxazepan-6-yl]methyl}-2-oxo-1,2-dihydropyridine-3-carboxylate monohydrochloride
Database identifiers
- PubChem CID
- 66975152
- ChEMBL
CHEMBL3818901
Properties
Computed structural properties
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 627
Related reactions
1 records
Compound notes
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