Basic information
- Standard SMILES
O=C1COc2c(cc(Cl)cc2C(=O)NC2CCN(Cc3ccccc3)CC2)N1- InChIKey
VGYLOJDDZIYVQA-UHFFFAOYSA-N- Molecular formula
- C21H22ClN3O3
- Average molar mass
- 399.9 g/mol
- Monoisotopic mass
- 399.1349693
Names & identifiers
- Preferred name
- N-(1-benzyl-4-piperidyl)-6-chloro-3,4-dihydro-3-oxo-2H-1,4-benzoxazine-8-carboxamide
- IUPAC
- N-(1-benzylpiperidin-4-yl)-6-chloro-3-oxo-4H-1,4-benzoxazine-8-carboxamide
Names & synonyms
SCHEMBL7291630VGYLOJDDZIYVQA-UHFFFAOYSA-NN-(1-benzyl-4-piperidyl) -6-chloro-3,4-dihydro-3-oxo-2H-1,4-benzoxazine-8-carboxamide
Database identifiers
- PubChem CID
- 14719844
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 561
Related reactions
1 records
Compound notes
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