N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-0553 |
| Compound Name: | N-[2-(4-benzylpiperidin-1-yl)ethyl]-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 574.52 |
| Molecular Formula: | C31 H32 Br N3 O3 |
| Smiles: | C1CN(CCC1Cc1ccccc1)CCNC(CN1C(/C(=C\c2cccc(c2)[Br])Oc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8319 |
| logD: | 4.8517 |
| logSw: | -5.9558 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.057 |
| InChI Key: | DRODPMXUIYNOSH-UHFFFAOYSA-N |