Basic information
- Standard SMILES
O=C1COc2cc(NC(=O)C(=O)N3CCC(Cc4ccc(F)cc4)CC3)ccc2N1- InChIKey
JWEGFMYUZXXJOI-UHFFFAOYSA-N- Molecular formula
- C22H22FN3O4
- Average molar mass
- 411.4 g/mol
Names & identifiers
- Preferred name
- 2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-oxo-N-(3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-7-yl)-acetamide
- IUPAC
- 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
Names & synonyms
SCHEMBL4577564JWEGFMYUZXXJOI-UHFFFAOYSA-N2-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-2-oxo-N-(3-oxo-3,4-dihydro-2H-benzo[1,4]oxazine-7-yl)-acetamide
Database identifiers
- PubChem CID
- 69100294
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 644
Related reactions
2 records
Compound notes
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