Basic information
- Standard SMILES
O=C1COc2cc(NCC(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)ccc2N1- InChIKey
CIPZHAUPIQUUCH-UHFFFAOYSA-N- Molecular formula
- C21H22ClN3O4
- Average molar mass
- 415.9 g/mol
Names & identifiers
- Preferred name
- 7-{2-[4-(4-Chloro-phenoxy)-piperidin-1-yl]-2-oxo-ethylamino}-4H-benzo[1,4]oxazin-3-one
- IUPAC
- 7-[[2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoethyl]amino]-4H-1,4-benzoxazin-3-one
Names & synonyms
SCHEMBL4577645CIPZHAUPIQUUCH-UHFFFAOYSA-N7-{2-[4-(4-Chloro-phenoxy)-piperidin-1-yl]-2-oxo-ethylamino}-4H-benzo[1,4]oxazin-3-one
Database identifiers
- PubChem CID
- 69100323
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 576
Related reactions
1 records
Compound notes
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