1-{4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzoyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzoyl}piperidine-4-carboxamide
1-{4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzoyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K788-5317 |
| Compound Name: | 1-{4-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-ylidene)methyl]benzoyl}piperidine-4-carboxamide |
| Molecular Weight: | 391.43 |
| Molecular Formula: | C22 H21 N3 O4 |
| Smiles: | C1CN(CCC1C(N)=O)C(c1ccc(\C=C2/C(Nc3ccccc3O2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6825 |
| logD: | 1.6825 |
| logSw: | -2.1548 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.515 |
| InChI Key: | QNLVXYAFFRQXGS-CPNJWEJPSA-N |