N-(4-(trifluoromethyl)-2-(piperidin-1-yl)benzyl)-3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazine-8-carboxamide
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Basic information
- Standard SMILES
O=C1COc2c(cccc2C(=O)NCc2ccc(C(F)(F)F)cc2N2CCCCC2)N1- InChIKey
RLEOFYOEYOFOJH-UHFFFAOYSA-N- Molecular formula
- C22H22F3N3O3
- Average molar mass
- 433.4 g/mol
Names & identifiers
- Preferred name
- N-(4-(trifluoromethyl)-2-(piperidin-1-yl)benzyl)-3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazine-8-carboxamide
- IUPAC
- 3-oxo-N-[[2-piperidin-1-yl-4-(trifluoromethyl)phenyl]methyl]-4H-1,4-benzoxazine-8-carboxamide
Names & synonyms
N-(4-(trifluoromethyl)-2-(piperidin-1-yl)benzyl)-3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazine-8-carboxamideSCHEMBL2483929
Database identifiers
- PubChem CID
- 53477040
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 654
Related reactions
1 records
Compound notes
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