Basic information
- Standard SMILES
O=C1OCc2ccccc2N1C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1- InChIKey
LVQCPQACTBXKBW-UHFFFAOYSA-N- Molecular formula
- C19H18ClN3O4
- Average molar mass
- 387.8 g/mol
Names & identifiers
- Preferred name
- 1-[1-(2-Chloro-4-nitrophenyl)piperidin-4-yl]-1,4-dihydro-2h-3,1-benzoxazin-2-one
- IUPAC
- 1-[1-(2-chloro-4-nitrophenyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Names & synonyms
SCHEMBL6867530LVQCPQACTBXKBW-UHFFFAOYSA-N1-[1-(2-chloro-4-nitrophenyl)piperidin-4-yl]-1,4-dihydro-2h-3,1-benzoxazin-2-one
Database identifiers
- PubChem CID
- 22644572
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 564
Related reactions
2 records
Compound notes
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