{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(6-methylpyridin-3-yl)methanone
Chemical Structure Depiction of
{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(6-methylpyridin-3-yl)methanone
{7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(6-methylpyridin-3-yl)methanone
Compound characteristics
| Compound ID: | T634-0526 |
| Compound Name: | {7-[(azepan-1-yl)methyl]-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl}(6-methylpyridin-3-yl)methanone |
| Molecular Weight: | 379.5 |
| Molecular Formula: | C23 H29 N3 O2 |
| Smiles: | Cc1ccc(cn1)C(N1CCOc2ccc(CN3CCCCCC3)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1705 |
| logD: | 1.5644 |
| logSw: | -2.8138 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.838 |
| InChI Key: | NXSPMOKLXQRIIY-UHFFFAOYSA-N |