3-{4-[(6-methoxypyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Chemical Structure Depiction of
3-{4-[(6-methoxypyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
3-{4-[(6-methoxypyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2762 |
| Compound Name: | 3-{4-[(6-methoxypyridin-2-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C23 H29 N3 O4 |
| Smiles: | COc1cccc(CN2CCOc3ccc(CCC(N4CCOCC4)=O)cc3C2)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.4157 |
| logD: | 0.6401 |
| logSw: | -2.6966 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.5 |
| InChI Key: | KYNYHQSQSMZEKP-UHFFFAOYSA-N |