3-{4-[(2-methoxyethoxy)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Chemical Structure Depiction of
3-{4-[(2-methoxyethoxy)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
3-{4-[(2-methoxyethoxy)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one
Compound characteristics
| Compound ID: | S629-2598 |
| Compound Name: | 3-{4-[(2-methoxyethoxy)acetyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}-1-(morpholin-4-yl)propan-1-one |
| Molecular Weight: | 406.48 |
| Molecular Formula: | C21 H30 N2 O6 |
| Smiles: | COCCOCC(N1CCOc2ccc(CCC(N3CCOCC3)=O)cc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0335 |
| logD: | -0.0335 |
| logSw: | -1.5741 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.3 |
| InChI Key: | PQLVDXUDOKNLFI-UHFFFAOYSA-N |