N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Chemical Structure Depiction of
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide
Compound characteristics
| Compound ID: | K788-0497 |
| Compound Name: | N-[3-(4-benzylpiperidin-1-yl)propyl]-2-{2-[(3-bromophenyl)methylidene]-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl}acetamide |
| Molecular Weight: | 588.55 |
| Molecular Formula: | C32 H34 Br N3 O3 |
| Smiles: | C(CNC(CN1C(/C(=C/c2cccc(c2)[Br])Oc2ccccc12)=O)=O)CN1CCC(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9551 |
| logD: | 3.863 |
| logSw: | -5.9506 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.057 |
| InChI Key: | ZOWGDTLBJIJFBA-UHFFFAOYSA-N |